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RAC-gamma serine/threonine-protein kinase

AKT3 is one of 3 closely related serine/threonine-protein kinases (AKT1, AKT2 and AKT3) called the AKT kinase, and which regulate many processes including metabolism, proliferation, cell survival, growth and angiogenesis. This is mediated through serine and/or threonine phosphorylation of a range of downstream substrates. Over 100 substrate candidates have been reported so far, but for most of them, no isoform specificity has been reported. AKT3 is the least studied AKT isoform. It plays an important role in brain development and is crucial for the viability of malignant glioma cells. AKT3 isoform may also be the key molecule in up-regulation and down-regulation of MMP13 via IL13. Required for the coordination of mitochondrial biogenesis with growth factor-induced increases in cellular energy demands. Down-regulation by RNA interference reduces the expression of the phosphorylated form of BAD, resulting in the induction of caspase-dependent apoptosis.

AlphaFold DB , UniProt , Accession Q9Y243, Species HUMAN (Homo sapiens, Human), Gene AKT3, Length 479 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.3	Very low	81.3	Confident	238 Å²	238	95.5 Å²	95.5	100%	1.172	51%	0.511	S	S	*	.				0	115.9	0	-71	165.7	178.2	0	0	105.4	D3	M1-D3 PolarHBondContact O-N 2.99Å
2	S	55.5	Low	82.2	Confident	109 Å²	109	87.8 Å²	87.8	76%	0.762	47%	0.469	S	S	*	.			trans	-65.3	125.2	174.5	45.2	0	0	0	0	108.4	V4	S2-V4 PolarHBondContact O-N 3.42Å; S2-V4 VanDerWaalsContact O-N 3.14Å
3	D	70.2	Confident	82.9	Confident	142 Å²	142	84.7 Å²	84.7	76%	0.759	45%	0.45	S	S	*	.			trans	-58.6	117.6	176.7	-76.2	-33	0	0	0	109.7	M1 T5	M1-D3 PolarHBondContact O-N 2.99Å; D3-T5 HydrophobicContact CB-CG2 4.41Å; D3-T5 PolarHBondContact O-N 2.85Å
4	V	80.1	Confident	83.2	Confident	73 Å²	73	79.4 Å²	79.4	44%	0.442	42%	0.421	S	S	.	.			trans	-76.3	93.7	178.3	-178.3	0	0	0	0	108.5	S2 K30 T31 D32	S2-V4 PolarHBondContact O-N 3.42Å; S2-V4 VanDerWaalsContact O-N 3.14Å; V4-K30 HydrophobicContact CG1-CB 3.84Å; V4-K30 HydrophobicContact CG1-CD 3.91Å; V4-K30 HydrophobicContact CG1-CG 4.36Å; V4-T31 WeakPolarHBondContact CA-OG1 2.98Å; V4-D32 HydrophobicContact CG1-CB 4.02Å; V4-D32 HydrophobicContact CG2-CB 4.12Å
5	T	88.9	Confident	83.2	Confident	79 Å²	79	78.6 Å²	78.6	49%	0.485	41%	0.41	S	S	.	.			trans	-92.6	159.9	176.9	60.6	0	0	0	0	112.7	D3 K30 T31	D3-T5 HydrophobicContact CB-CG2 4.41Å; D3-T5 PolarHBondContact O-N 2.85Å; T5-K30 CarbonylContact O-C 3.6Å; T5-K30 WeakPolarHBondContact O-CA 3.48Å; T5-T31 PolarHBondContact N-OG1 2.96Å; T5-T31 WeakPolarHBondContact O-CG2 3.46Å; T5-T31 PolarHBondContact O-N 2.82Å; T5-T31 PolarHBondContact O-OG1 3.15Å; T5-T31 VanDerWaalsContact O-OG1 3.13Å; T5-T31 WeakPolarHBondContact OG1-CG2 3.31Å
6	I	90.3	Very high	82.2	Confident	86 Å²	86	74.5 Å²	74.5	44%	0.441	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	129.2	173.5	-60.9	170.2	0	0	0	108.8	E9 L28	I6-E9 HydrophobicContact CG2-CB 4.28Å; I6-L28 HydrophobicContact CD1-CD1 4.37Å; I6-L28 HydrophobicContact CD1-CD2 4.42Å
7	V	91.5	Very high	81.2	Confident	63 Å²	63	74.9 Å²	74.9	38%	0.382	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-44	177.5	179	0	0	0	0	110.8	L29 T31 A101 V105	V7-L29 HydrophobicContact CB-CD2 4.23Å; V7-L29 HydrophobicContact CB-CG 4.21Å; V7-L29 HydrophobicContact CG1-CD2 4.19Å; V7-L29 PolarHBondContact N-O 3.43Å; V7-T31 HydrophobicContact CG2-CG2 3.46Å; V7-T31 VanDerWaalsContact CG2-CG2 3.46Å; V7-A101 HydrophobicContact CG1-CB 4.37Å; V7-V105 HydrophobicContact CB-CG2 4.29Å; V7-V105 HydrophobicContact CG1-CG2 4.07Å; V7-V105 HydrophobicContact CG2-CG2 3.83Å
8	K	93.1	Very high	79.9	Confident	39 Å²	39	75.4 Å²	75.4	17%	0.17	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	144.3	177	-173.3	171	175.4	65.8	0	109.9	L29 E97 W98 A101	K8-L29 HydrophobicContact CB-CB 4.46Å; K8-L29 PolarHBondContact N-O 3.21Å; K8-L29 PolarHBondContact O-N 2.98Å; K8-E97 HydrophobicContact CD-CB 4.43Å; K8-E97 IonicContact NZ-OE2 3.09Å; K8-E97 PolarHBondContact NZ-OE2 3.09Å; K8-W98 HydrophobicContact CB-CE3 4.38Å; K8-W98 HydrophobicContact CB-CH2 4.36Å; K8-W98 HydrophobicContact CB-CZ3 3.92Å; K8-W98 HydrophobicContact CD-CD2 3.74Å; K8-W98 HydrophobicContact CD-CE3 3.65Å; K8-W98 HydrophobicContact CD-CG 4.23Å; K8-W98 HydrophobicContact CD-CH2 4.39Å; K8-W98 HydrophobicContact CD-CZ2 4.48Å; K8-W98 HydrophobicContact CD-CZ3 3.95Å; K8-W98 HydrophobicContact CG-CD2 4.35Å; K8-W98 HydrophobicContact CG-CE3 4.03Å; K8-W98 HydrophobicContact CG-CH2 3.94Å; K8-W98 HydrophobicContact CG-CZ2 4.27Å; K8-W98 HydrophobicContact CG-CZ3 3.77Å; K8-A101 HydrophobicContact CB-CB 4.17Å; K8-A101 HydrophobicContact CD-CB 4Å
9	E	94	Very high	78.5	Confident	79 Å²	79	72.2 Å²	72.2	37%	0.369	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	153	171	59.6	166.9	-168.8	0	0	111.6	I6 Y26 F27 L28 K41	I6-E9 HydrophobicContact CG2-CB 4.28Å; E9-Y26 HydrophobicContact CB-CE1 3.88Å; E9-Y26 HydrophobicContact CG-CE1 4.35Å; E9-Y26 WeakPolarHBondContact CG-OH 3.49Å; E9-Y26 PolarHBondContact OE1-OH 2.65Å; E9-Y26 WeakPolarHBondContact OE2-CE1 3.46Å; E9-Y26 PolarHBondContact OE2-OH 2.98Å; E9-F27 CarbonylContact C-O 3.48Å; E9-F27 WeakPolarHBondContact CA-O 3.43Å; E9-L28 HydrophobicContact CB-CD2 3.41Å; E9-L28 VanDerWaalsContact CB-CD2 3.41Å; E9-L28 HydrophobicContact CG-CD2 4.45Å; E9-L28 WeakPolarHBondContact OE2-CD2 3.43Å; E9-K41 IonicContact OE1-NZ 2.87Å; E9-K41 PolarHBondContact OE1-NZ 3.18Å; E9-K41 IonicContact OE2-NZ 2.77Å
10	G	93.2	Very high	78.2	Confident	14 Å²	14	74.5 Å²	74.5	14%	0.144	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.2	171.6	178.5	0	0	0	0	0	114.3	F27	G10-F27 PolarHBondContact N-O 3.34Å; G10-F27 PolarHBondContact O-N 2.74Å
11	W	93	Very high	78	Confident	129 Å²	129	73.3 Å²	73.3	49%	0.489	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	135.2	175.1	-73.7	101.9	0	0	0	111	P24 R25 Y26 K39	W11-P24 HydrophobicContact CE3-CB 3.96Å; W11-P24 HydrophobicContact CZ3-CB 4Å; W11-R25 WeakPolarHBondContact CA-O 3.3Å; W11-R25 VanDerWaalsContact CE3-C 3.41Å; W11-Y26 AromaticContact CD1-CD2 3.74Å; W11-Y26 AromaticContact CD1-CE2 3.99Å; W11-Y26 AromaticContact CD2-CD2 3.87Å; W11-Y26 HydrophobicContact CD2-CD2 3.87Å; W11-Y26 AromaticContact CE2-CD2 3.7Å; W11-Y26 AromaticContact CG-CD2 3.9Å; W11-Y26 HydrophobicContact CG-CD2 3.9Å; W11-Y26 HydrophobicContact CG-CE2 4.48Å; W11-Y26 HydrophobicContact CZ2-CD2 4.31Å; W11-Y26 AromaticContact NE1-CD2 3.6Å; W11-K39 WeakPolarHBondContact CH2-O 3.33Å
12	V	92.6	Very high	79.8	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.018	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	139.2	174.1	-172.5	0	0	0	0	108.4	K14 R25 F27 F72 F87 V89 W98	V12-K14 PolarHBondContact O-N 3Å; V12-R25 PolarHBondContact N-O 3.27Å; V12-R25 PolarHBondContact O-N 3.18Å; V12-F27 HydrophobicContact CB-CD2 3.76Å; V12-F27 HydrophobicContact CB-CE2 4.22Å; V12-F27 HydrophobicContact CG2-CB 4.39Å; V12-F27 HydrophobicContact CG2-CD2 4.05Å; V12-F72 HydrophobicContact CG1-CE1 4.13Å; V12-F72 HydrophobicContact CG1-CZ 3.99Å; V12-F87 HydrophobicContact CG1-CB 3.69Å; V12-F87 HydrophobicContact CG1-CD1 3.82Å; V12-F87 HydrophobicContact CG1-CG 4.15Å; V12-V89 HydrophobicContact CB-CG1 4.41Å; V12-V89 HydrophobicContact CG1-CG1 4Å; V12-V89 HydrophobicContact CG2-CG1 4.18Å; V12-W98 HydrophobicContact CG2-CD2 4.28Å; V12-W98 HydrophobicContact CG2-CZ2 3.69Å
13	Q	91.2	Very high	81.1	Confident	47 Å²	47	60.3 Å²	60.3	22%	0.22	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	109.9	170.2	-65.4	-73.3	-26.7	0	0	108.4	W22 R23 F87 H88	Q13-W22 HydrophobicContact CB-CE3 3.87Å; Q13-W22 HydrophobicContact CB-CZ3 4.49Å; Q13-W22 WeakPolarHBondContact O-CZ3 3.31Å; Q13-R23 CarbonylContact C-O 3.59Å; Q13-R23 WeakPolarHBondContact CA-O 3.41Å; Q13-R23 VanDerWaalsContact OE1-C 3.24Å; Q13-F87 CarbonylContact O-C 3.39Å; Q13-F87 VanDerWaalsContact O-CA 3.3Å; Q13-F87 WeakPolarHBondContact O-CA 3.48Å; Q13-H88 HydrophobicContact CB-CB 4.04Å; Q13-H88 WeakPolarHBondContact CB-O 3.3Å; Q13-H88 PolarHBondContact N-O 2.86Å; Q13-H88 PolarHBondContact O-N 3.18Å
14	K	87.4	Confident	81.9	Confident	10 Å²	10	56.5 Å²	56.5	4%	0.043	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	133.5	171.6	-175.7	-166.8	171.6	-154.4	0	108.9	V12 R23 R25 F27 N52 F54 F87 D320	V12-K14 PolarHBondContact O-N 3Å; K14-R23 PolarHBondContact N-O 2.8Å; K14-R23 PolarHBondContact O-N 3.03Å; K14-R25 HydrophobicContact CB-CG 4.46Å; K14-F27 HydrophobicContact CB-CE2 4.33Å; K14-F27 HydrophobicContact CB-CZ 4.45Å; K14-F27 HydrophobicContact CD-CZ 4.49Å; K14-N52 PolarHBondContact NZ-ND2 2.86Å; K14-F54 HydrophobicContact CD-CZ 4.37Å; K14-F87 HydrophobicContact CB-CD1 4.15Å; K14-F87 HydrophobicContact CB-CE1 4.12Å; K14-F87 HydrophobicContact CG-CD1 4.24Å; K14-F87 HydrophobicContact CG-CE1 3.86Å; K14-D320 IonicContact NZ-OD2 2.84Å; K14-D320 PolarHBondContact NZ-OD2 3.38Å
15	R	83.3	Confident	82.3	Confident	68 Å²	68	54 Å²	54	26%	0.257	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	131.9	167.8	-160.4	-176.7	-175	-168.3	4.8	109.9	N21 W22 T86	R15-N21 CarbonylContact C-O 3.46Å; R15-N21 WeakPolarHBondContact CA-O 3.47Å; R15-W22 HydrophobicContact CB-CD2 4.27Å; R15-W22 HydrophobicContact CB-CE3 3.84Å; R15-W22 HydrophobicContact CB-CH2 4.19Å; R15-W22 HydrophobicContact CB-CZ3 3.76Å; R15-W22 HydrophobicContact CG-CD2 4.39Å; R15-W22 HydrophobicContact CG-CE3 4.45Å; R15-T86 HydrophobicContact CB-CG2 4.4Å; R15-T86 PolarHBondContact N-O 3.12Å
16	G	67.1	Low	82.3	Confident	13 Å²	13	51 Å²	51	13%	0.134	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-65.5	145.6	169.3	0	0	0	0	0	111.4	I19 N21	G16-I19 CarbonylContact C-O 3.51Å; G16-I19 VanDerWaalsContact C-O 3.26Å; G16-I19 WeakPolarHBondContact CA-O 3.32Å; G16-N21 PolarHBondContact N-O 3.15Å
17	E	64.4	Low	82.4	Confident	81 Å²	81	46.9 Å²	46.9	38%	0.379	22%	0.219	S	C	.	.	S	Bend	trans	-72.8	-47.6	-177.2	-176.4	164.9	-151.3	0	0	111.4	R85	E17-R85 IonicContact OE1-NH1 3.92Å; E17-R85 PolarHBondContact OE1-NH1 3.4Å; E17-R85 VanDerWaalsContact OE1-NH1 3.15Å; E17-R85 IonicContact OE2-CZ 2.85Å; E17-R85 IonicContact OE2-NH1 3.12Å; E17-R85 PolarHBondContact OE2-NH1 2.98Å; E17-R85 IonicContact OE2-NH2 3.87Å; E17-R85 PolarHBondContact OE2-NH2 3.31Å
18	Y	57.6	Low	82.4	Confident	84 Å²	84	44.4 Å²	44.4	33%	0.329	20%	0.204	S	C	.	.	S	Bend	trans	-94	-46.7	-178.2	-55.1	-74.9	0	0	0	111.9	F306	Y18-F306 HydrophobicContact CD1-CD1 4.1Å; Y18-F306 HydrophobicContact CD1-CD2 4.4Å; Y18-F306 HydrophobicContact CD1-CE1 4.04Å; Y18-F306 HydrophobicContact CD1-CE2 4.31Å; Y18-F306 HydrophobicContact CD1-CG 4.29Å; Y18-F306 HydrophobicContact CD1-CZ 4.14Å; Y18-F306 HydrophobicContact CD2-CB 4.41Å; Y18-F306 HydrophobicContact CD2-CD1 4.46Å; Y18-F306 AromaticContact CD2-CD2 3.4Å; Y18-F306 HydrophobicContact CD2-CD2 3.4Å; Y18-F306 AromaticContact CD2-CE2 3.61Å; Y18-F306 HydrophobicContact CD2-CE2 3.61Å; Y18-F306 AromaticContact CD2-CG 3.86Å; Y18-F306 HydrophobicContact CD2-CG 3.86Å; Y18-F306 HydrophobicContact CD2-CZ 4.26Å; Y18-F306 HydrophobicContact CE1-CB 4.23Å; Y18-F306 AromaticContact CE1-CD1 3.72Å; Y18-F306 HydrophobicContact CE1-CD1 3.72Å; Y18-F306 HydrophobicContact CE1-CD2 4.34Å; Y18-F306 HydrophobicContact CE1-CE1 4.11Å; Y18-F306 AromaticContact CE1-CG 3.85Å; Y18-F306 HydrophobicContact CE1-CG 3.85Å; Y18-F306 HydrophobicContact CE2-CB 3.48Å; Y18-F306 VanDerWaalsContact CE2-CB 3.48Å; Y18-F306 HydrophobicContact CE2-CD1 4.13Å; Y18-F306 AromaticContact CE2-CD2 3.34Å; Y18-F306 HydrophobicContact CE2-CD2 3.34Å; Y18-F306 HydrophobicContact CE2-CE2 4.03Å; Y18-F306 AromaticContact CE2-CG 3.39Å; Y18-F306 HydrophobicContact CE2-CG 3.39Å; Y18-F306 HydrophobicContact CG-CD1 4.46Å; Y18-F306 AromaticContact CG-CD2 3.96Å; Y18-F306 HydrophobicContact CG-CD2 3.96Å; Y18-F306 HydrophobicContact CG-CE1 4.32Å; Y18-F306 AromaticContact CG-CE2 3.78Å; Y18-F306 HydrophobicContact CG-CE2 3.78Å; Y18-F306 HydrophobicContact CG-CG 4.29Å; Y18-F306 AromaticContact CG-CZ 3.98Å; Y18-F306 HydrophobicContact CG-CZ 3.98Å; Y18-F306 AromaticContact CZ-CD1 3.74Å; Y18-F306 AromaticContact CZ-CD2 3.85Å; Y18-F306 AromaticContact CZ-CG 3.38Å; Y18-F306 WeakPolarHBondContact OH-CB 3.19Å
19	I	54.7	Low	82.5	Confident	14 Å²	14	42.6 Å²	42.6	7%	0.072	20%	0.196	C	C	.	.	S	Bend	trans	-93.1	107.8	169.5	-48.2	174.9	0	0	0	106.4	G16 N21 L318 F355 L359	G16-I19 CarbonylContact C-O 3.51Å; G16-I19 VanDerWaalsContact C-O 3.26Å; G16-I19 WeakPolarHBondContact CA-O 3.32Å; I19-N21 HydrophobicContact CG2-CB 3.99Å; I19-N21 PolarHBondContact O-N 2.66Å; I19-N21 PolarHBondContact O-OD1 3.33Å; I19-L318 HydrophobicContact CD1-CB 4.43Å; I19-F355 HydrophobicContact CD1-CB 3.44Å; I19-F355 VanDerWaalsContact CD1-CB 3.44Å; I19-F355 HydrophobicContact CD1-CG 4.43Å; I19-F355 HydrophobicContact CG1-CB 3.66Å; I19-F355 HydrophobicContact CG1-CD2 3.98Å; I19-F355 HydrophobicContact CG1-CG 4.27Å; I19-L359 HydrophobicContact CD1-CD1 3.28Å; I19-L359 HydrophobicContact CD1-CG 4.25Å
20	K	70.8	Confident	82.4	Confident	119 Å²	119	41.5 Å²	41.5	52%	0.517	19%	0.19	S	C	.	.			trans	-68.2	24.1	-177	-73.5	168.6	179.8	162.8	0	114.2
21	N	75.7	Confident	82.2	Confident	50 Å²	50	42 Å²	42	27%	0.267	19%	0.19	S	C	.	.			trans	-77.1	154.6	175.8	67.9	-1.5	0	0	0	111.7	R15 G16 I19 R23	R15-N21 CarbonylContact C-O 3.46Å; R15-N21 WeakPolarHBondContact CA-O 3.47Å; G16-N21 PolarHBondContact N-O 3.15Å; I19-N21 HydrophobicContact CG2-CB 3.99Å; I19-N21 PolarHBondContact O-N 2.66Å; I19-N21 PolarHBondContact O-OD1 3.33Å; N21-R23 PolarHBondContact OD1-NE 2.79Å; N21-R23 PolarHBondContact OD1-NH2 3.02Å; N21-R23 VanDerWaalsContact OD1-NH2 3.13Å
22	W	80.9	Confident	81.9	Confident	50 Å²	50	39 Å²	39	19%	0.189	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	132.7	176.8	-67.9	99.1	0	0	0	109.6	Q13 R15 P67 K68 T71 T86 H88	Q13-W22 HydrophobicContact CB-CE3 3.87Å; Q13-W22 HydrophobicContact CB-CZ3 4.49Å; Q13-W22 WeakPolarHBondContact O-CZ3 3.31Å; R15-W22 HydrophobicContact CB-CD2 4.27Å; R15-W22 HydrophobicContact CB-CE3 3.84Å; R15-W22 HydrophobicContact CB-CH2 4.19Å; R15-W22 HydrophobicContact CB-CZ3 3.76Å; R15-W22 HydrophobicContact CG-CD2 4.39Å; R15-W22 HydrophobicContact CG-CE3 4.45Å; W22-P67 HydrophobicContact CZ2-CG 3.78Å; W22-K68 HydrophobicContact CD2-CD 4.35Å; W22-K68 HydrophobicContact CG-CD 4.38Å; W22-K68 HydrophobicContact CZ2-CB 4.02Å; W22-K68 HydrophobicContact CZ2-CD 4.2Å; W22-K68 HydrophobicContact CZ2-CG 3.99Å; W22-T71 HydrophobicContact CH2-CG2 4.38Å; W22-T86 HydrophobicContact CH2-CG2 3.85Å; W22-T86 HydrophobicContact CZ3-CG2 4.42Å; W22-H88 HydrophobicContact CE3-CB 3.97Å; W22-H88 HydrophobicContact CH2-CB 3.5Å; W22-H88 HydrophobicContact CZ2-CB 4.21Å; W22-H88 HydrophobicContact CZ3-CB 3.39Å
23	R	82.6	Confident	81.6	Confident	24 Å²	24	38.9 Å²	38.9	9%	0.091	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.6	-179.2	-55.6	-176	-163.6	-175.5	9.6	110.1	Q13 K14 N21 R25 E319	Q13-R23 CarbonylContact C-O 3.59Å; Q13-R23 WeakPolarHBondContact CA-O 3.41Å; Q13-R23 VanDerWaalsContact OE1-C 3.24Å; K14-R23 PolarHBondContact N-O 2.8Å; K14-R23 PolarHBondContact O-N 3.03Å; N21-R23 PolarHBondContact OD1-NE 2.79Å; N21-R23 PolarHBondContact OD1-NH2 3.02Å; N21-R23 VanDerWaalsContact OD1-NH2 3.13Å; R23-R25 PolarHBondContact O-N 3.27Å; R23-E319 VanDerWaalsContact NH1-CG 3.26Å; R23-E319 IonicContact NH1-OE1 3.59Å; R23-E319 PolarHBondContact NH1-OE1 3.31Å
24	P	88	Confident	81.3	Confident	62 Å²	62	37.9 Å²	37.9	40%	0.403	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	132.8	170.5	26	-30.8	0	0	0	109.4	W11	W11-P24 HydrophobicContact CE3-CB 3.96Å; W11-P24 HydrophobicContact CZ3-CB 4Å
25	R	87.9	Confident	81.3	Confident	19 Å²	19	37.4 Å²	37.4	7%	0.072	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	142.1	172.7	-66.6	-66.4	-178.9	-103.8	8.5	108.7	W11 V12 K14 R23 F27 Y38 E319	W11-R25 WeakPolarHBondContact CA-O 3.3Å; W11-R25 VanDerWaalsContact CE3-C 3.41Å; V12-R25 PolarHBondContact N-O 3.27Å; V12-R25 PolarHBondContact O-N 3.18Å; K14-R25 HydrophobicContact CB-CG 4.46Å; R23-R25 PolarHBondContact O-N 3.27Å; R25-F27 HydrophobicContact CB-CD2 3.86Å; R25-F27 HydrophobicContact CB-CE2 3.43Å; R25-F27 VanDerWaalsContact CB-CE2 3.43Å; R25-F27 HydrophobicContact CB-CZ 4.14Å; R25-F27 HydrophobicContact CG-CE2 4.24Å; R25-Y38 CarbonylContact C-O 3.6Å; R25-Y38 VanDerWaalsContact CA-O 3.29Å; R25-Y38 WeakPolarHBondContact CA-O 3.48Å; R25-Y38 WeakPolarHBondContact CD-O 3.5Å; R25-E319 IonicContact NH2-OE1 3.92Å
26	Y	89.6	Confident	81.5	Confident	16 Å²	16	34.8 Å²	34.8	6%	0.063	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	110.8	172	-162.1	-96.2	0	0	0	108.6	E9 W11 L28 G37 Y38 K41	E9-Y26 HydrophobicContact CB-CE1 3.88Å; E9-Y26 HydrophobicContact CG-CE1 4.35Å; E9-Y26 WeakPolarHBondContact CG-OH 3.49Å; E9-Y26 PolarHBondContact OE1-OH 2.65Å; E9-Y26 WeakPolarHBondContact OE2-CE1 3.46Å; E9-Y26 PolarHBondContact OE2-OH 2.98Å; W11-Y26 AromaticContact CD1-CD2 3.74Å; W11-Y26 AromaticContact CD1-CE2 3.99Å; W11-Y26 AromaticContact CD2-CD2 3.87Å; W11-Y26 HydrophobicContact CD2-CD2 3.87Å; W11-Y26 AromaticContact CE2-CD2 3.7Å; W11-Y26 AromaticContact CG-CD2 3.9Å; W11-Y26 HydrophobicContact CG-CD2 3.9Å; W11-Y26 HydrophobicContact CG-CE2 4.48Å; W11-Y26 HydrophobicContact CZ2-CD2 4.31Å; W11-Y26 AromaticContact NE1-CD2 3.6Å; Y26-L28 HydrophobicContact CD1-CD2 4.08Å; Y26-L28 HydrophobicContact CE1-CD2 3.81Å; Y26-G37 WeakPolarHBondContact O-CA 3.29Å; Y26-Y38 PolarHBondContact N-O 2.63Å; Y26-Y38 PolarHBondContact O-N 2.95Å; Y26-K41 HydrophobicContact CD1-CB 4.01Å; Y26-K41 HydrophobicContact CD1-CG 3.92Å; Y26-K41 HydrophobicContact CD2-CB 4.09Å; Y26-K41 HydrophobicContact CD2-CG 4.49Å; Y26-K41 HydrophobicContact CE1-CB 4.15Å; Y26-K41 HydrophobicContact CE1-CD 3.86Å; Y26-K41 HydrophobicContact CE1-CG 3.6Å; Y26-K41 HydrophobicContact CE2-CB 4.25Å; Y26-K41 HydrophobicContact CE2-CD 4.01Å; Y26-K41 HydrophobicContact CE2-CG 4.25Å; Y26-K41 HydrophobicContact CG-CB 3.97Å; Y26-K41 HydrophobicContact CG-CG 4.34Å; Y26-K41 WeakPolarHBondContact OH-CE 3.34Å; Y26-K41 PolarHBondContact OH-NZ 2.6Å
27	F	92.5	Very high	82.3	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	142.1	-177.3	-83	-86.6	0	0	0	111.9	E9 G10 V12 K14 R25 F35 I36 G37 N52 F54 F87 W98	E9-F27 CarbonylContact C-O 3.48Å; E9-F27 WeakPolarHBondContact CA-O 3.43Å; G10-F27 PolarHBondContact N-O 3.34Å; G10-F27 PolarHBondContact O-N 2.74Å; V12-F27 HydrophobicContact CB-CD2 3.76Å; V12-F27 HydrophobicContact CB-CE2 4.22Å; V12-F27 HydrophobicContact CG2-CB 4.39Å; V12-F27 HydrophobicContact CG2-CD2 4.05Å; K14-F27 HydrophobicContact CB-CE2 4.33Å; K14-F27 HydrophobicContact CB-CZ 4.45Å; K14-F27 HydrophobicContact CD-CZ 4.49Å; R25-F27 HydrophobicContact CB-CD2 3.86Å; R25-F27 HydrophobicContact CB-CE2 3.43Å; R25-F27 VanDerWaalsContact CB-CE2 3.43Å; R25-F27 HydrophobicContact CB-CZ 4.14Å; R25-F27 HydrophobicContact CG-CE2 4.24Å; F27-F35 HydrophobicContact CB-CE2 3.7Å; F27-F35 HydrophobicContact CB-CZ 3.83Å; F27-F35 AromaticContact CD1-CD1 3.96Å; F27-F35 HydrophobicContact CD1-CD1 3.96Å; F27-F35 HydrophobicContact CD1-CD2 4.17Å; F27-F35 AromaticContact CD1-CE1 3.62Å; F27-F35 HydrophobicContact CD1-CE1 3.62Å; F27-F35 AromaticContact CD1-CE2 3.84Å; F27-F35 HydrophobicContact CD1-CE2 3.84Å; F27-F35 HydrophobicContact CD1-CG 4.22Å; F27-F35 AromaticContact CD1-CZ 3.55Å; F27-F35 HydrophobicContact CD1-CZ 3.55Å; F27-F35 HydrophobicContact CD2-CZ 4.43Å; F27-F35 HydrophobicContact CE1-CD1 4.13Å; F27-F35 AromaticContact CE1-CE1 3.86Å; F27-F35 HydrophobicContact CE1-CE1 3.86Å; F27-F35 HydrophobicContact CE1-CZ 4.24Å; F27-F35 HydrophobicContact CG-CE1 4.15Å; F27-F35 AromaticContact CG-CE2 4Å; F27-F35 HydrophobicContact CG-CE2 4Å; F27-F35 AromaticContact CG-CZ 3.68Å; F27-F35 HydrophobicContact CG-CZ 3.68Å; F27-I36 CarbonylContact C-O 3.57Å; F27-I36 VanDerWaalsContact CA-O 3.25Å; F27-I36 WeakPolarHBondContact CA-O 3.49Å; F27-G37 VanDerWaalsContact CD1-CA 3.45Å; F27-G37 VanDerWaalsContact CE1-CA 3.43Å; F27-N52 HydrophobicContact CE1-CB 4.22Å; F27-N52 HydrophobicContact CZ-CB 4.34Å; F27-F54 HydrophobicContact CE1-CD2 4.15Å; F27-F54 AromaticContact CE1-CE2 3.77Å; F27-F54 HydrophobicContact CE1-CE2 3.77Å; F27-F54 HydrophobicContact CZ-CE2 4.1Å; F27-F87 HydrophobicContact CE1-CE1 4.23Å; F27-F87 HydrophobicContact CE2-CD1 4.28Å; F27-F87 AromaticContact CE2-CE1 3.92Å; F27-F87 HydrophobicContact CE2-CE1 3.92Å; F27-F87 HydrophobicContact CZ-CD1 4.42Å; F27-F87 AromaticContact CZ-CE1 3.62Å; F27-F87 HydrophobicContact CZ-CE1 3.62Å; F27-F87 HydrophobicContact CZ-CZ 4.49Å; F27-W98 HydrophobicContact CB-CH2 3.96Å; F27-W98 HydrophobicContact CB-CZ2 4.38Å
28	L	91.6	Very high	83.1	Confident	12 Å²	12	30.8 Å²	30.8	6%	0.063	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	117.6	168.5	-53.9	-176.8	0	0	0	108	I6 E9 Y26 I36 Y38 P42	I6-L28 HydrophobicContact CD1-CD1 4.37Å; I6-L28 HydrophobicContact CD1-CD2 4.42Å; E9-L28 HydrophobicContact CB-CD2 3.41Å; E9-L28 VanDerWaalsContact CB-CD2 3.41Å; E9-L28 HydrophobicContact CG-CD2 4.45Å; E9-L28 WeakPolarHBondContact OE2-CD2 3.43Å; Y26-L28 HydrophobicContact CD1-CD2 4.08Å; Y26-L28 HydrophobicContact CE1-CD2 3.81Å; L28-I36 PolarHBondContact N-O 2.81Å; L28-I36 PolarHBondContact O-N 3.28Å; L28-Y38 HydrophobicContact CD1-CD2 4.36Å; L28-Y38 HydrophobicContact CD1-CE2 3.59Å; L28-Y38 HydrophobicContact CG-CD2 4.28Å; L28-Y38 HydrophobicContact CG-CE2 3.85Å; L28-P42 HydrophobicContact CD1-CG 4.35Å
29	L	93.3	Very high	84	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	122.5	165.5	177.5	66	0	0	0	108.5	V7 K8 F35 V56 W98 A101 I102 V105	V7-L29 HydrophobicContact CB-CD2 4.23Å; V7-L29 HydrophobicContact CB-CG 4.21Å; V7-L29 HydrophobicContact CG1-CD2 4.19Å; V7-L29 PolarHBondContact N-O 3.43Å; K8-L29 HydrophobicContact CB-CB 4.46Å; K8-L29 PolarHBondContact N-O 3.21Å; K8-L29 PolarHBondContact O-N 2.98Å; L29-F35 HydrophobicContact CB-CD2 3.93Å; L29-F35 HydrophobicContact CB-CE2 4.33Å; L29-F35 HydrophobicContact CD1-CB 4.3Å; L29-F35 HydrophobicContact CD1-CD2 4.04Å; L29-V56 HydrophobicContact CD1-CG2 3.8Å; L29-W98 HydrophobicContact CB-CZ3 4.08Å; L29-A101 HydrophobicContact CD2-CB 3.83Å; L29-I102 HydrophobicContact CD1-CG1 4.4Å; L29-I102 HydrophobicContact CD2-CG1 3.94Å; L29-V105 HydrophobicContact CD1-CG2 4.49Å; L29-V105 HydrophobicContact CD2-CG2 3.98Å; L29-V105 HydrophobicContact CG-CG2 4.24Å
30	K	92	Very high	85.1	Confident	57 Å²	57	39.3 Å²	39.3	25%	0.248	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	160.9	179.1	-66.5	-174.3	177.7	-171.3	0	111.8	V4 T5 D32 G33 S34 I36	V4-K30 HydrophobicContact CG1-CB 3.84Å; V4-K30 HydrophobicContact CG1-CD 3.91Å; V4-K30 HydrophobicContact CG1-CG 4.36Å; T5-K30 CarbonylContact O-C 3.6Å; T5-K30 WeakPolarHBondContact O-CA 3.48Å; K30-D32 VanDerWaalsContact C-N 3.26Å; K30-D32 WeakPolarHBondContact CB-OD1 3.38Å; K30-D32 PolarHBondContact O-N 3.2Å; K30-G33 PolarHBondContact O-N 3.1Å; K30-G33 VanDerWaalsContact O-N 3.11Å; K30-S34 PolarHBondContact N-O 3.01Å; K30-I36 HydrophobicContact CD-CD1 4.1Å
31	T	89	Confident	85.6	Confident	23 Å²	23	38.2 Å²	38.2	14%	0.141	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.3	-176	42.1	0	0	0	0	114.7	V4 T5 V7 G33 R108	V4-T31 WeakPolarHBondContact CA-OG1 2.98Å; T5-T31 PolarHBondContact N-OG1 2.96Å; T5-T31 WeakPolarHBondContact O-CG2 3.46Å; T5-T31 PolarHBondContact O-N 2.82Å; T5-T31 PolarHBondContact O-OG1 3.15Å; T5-T31 VanDerWaalsContact O-OG1 3.13Å; T5-T31 WeakPolarHBondContact OG1-CG2 3.31Å; V7-T31 HydrophobicContact CG2-CG2 3.46Å; V7-T31 VanDerWaalsContact CG2-CG2 3.46Å; T31-G33 PolarHBondContact O-N 3.23Å; T31-R108 VanDerWaalsContact C-NH2 3.29Å; T31-R108 VanDerWaalsContact CG2-NH2 3.33Å; T31-R108 PolarHBondContact O-NH2 3.39Å
32	D	87.5	Confident	85.4	Confident	68 Å²	68	37.1 Å²	37.1	36%	0.364	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-0.4	174.4	66.1	-16.8	0	0	0	113.6	V4 K30 S34 L109	V4-D32 HydrophobicContact CG1-CB 4.02Å; V4-D32 HydrophobicContact CG2-CB 4.12Å; K30-D32 VanDerWaalsContact C-N 3.26Å; K30-D32 WeakPolarHBondContact CB-OD1 3.38Å; K30-D32 PolarHBondContact O-N 3.2Å; D32-S34 VanDerWaalsContact CG-OG 3.22Å; D32-S34 WeakPolarHBondContact OD1-CB 3.28Å; D32-S34 PolarHBondContact OD1-N 3.24Å; D32-S34 PolarHBondContact OD1-OG 2.93Å; D32-S34 VanDerWaalsContact OD1-OG 3.09Å; D32-S34 PolarHBondContact OD2-OG 3.34Å; D32-L109 WeakPolarHBondContact O-CD1 3.4Å
33	G	85.5	Confident	85	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	88.2	4.1	-176.1	0	0	0	0	0	113.8	K30 T31 F35 S55 V56	K30-G33 PolarHBondContact O-N 3.1Å; K30-G33 VanDerWaalsContact O-N 3.11Å; T31-G33 PolarHBondContact O-N 3.23Å; G33-F35 PolarHBondContact O-N 2.84Å; G33-S55 CarbonylContact O-C 3.26Å; G33-S55 WeakPolarHBondContact O-CA 3.22Å; G33-V56 WeakPolarHBondContact O-CG2 3.43Å; G33-V56 PolarHBondContact O-N 3.12Å
34	S	85.7	Confident	83.9	Confident	26 Å²	26	49.6 Å²	49.6	18%	0.182	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	123	172.5	-61.4	0	0	0	0	110	K30 D32	K30-S34 PolarHBondContact N-O 3.01Å; D32-S34 VanDerWaalsContact CG-OG 3.22Å; D32-S34 WeakPolarHBondContact OD1-CB 3.28Å; D32-S34 PolarHBondContact OD1-N 3.24Å; D32-S34 PolarHBondContact OD1-OG 2.93Å; D32-S34 VanDerWaalsContact OD1-OG 3.09Å; D32-S34 PolarHBondContact OD2-OG 3.34Å
35	F	88.6	Confident	81.9	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	99.7	174.8	-171.7	-126.3	0	0	0	109	F27 L29 G33 F54 V56 I74 F87 W98 I102	F27-F35 HydrophobicContact CB-CE2 3.7Å; F27-F35 HydrophobicContact CB-CZ 3.83Å; F27-F35 AromaticContact CD1-CD1 3.96Å; F27-F35 HydrophobicContact CD1-CD1 3.96Å; F27-F35 HydrophobicContact CD1-CD2 4.17Å; F27-F35 AromaticContact CD1-CE1 3.62Å; F27-F35 HydrophobicContact CD1-CE1 3.62Å; F27-F35 AromaticContact CD1-CE2 3.84Å; F27-F35 HydrophobicContact CD1-CE2 3.84Å; F27-F35 HydrophobicContact CD1-CG 4.22Å; F27-F35 AromaticContact CD1-CZ 3.55Å; F27-F35 HydrophobicContact CD1-CZ 3.55Å; F27-F35 HydrophobicContact CD2-CZ 4.43Å; F27-F35 HydrophobicContact CE1-CD1 4.13Å; F27-F35 AromaticContact CE1-CE1 3.86Å; F27-F35 HydrophobicContact CE1-CE1 3.86Å; F27-F35 HydrophobicContact CE1-CZ 4.24Å; F27-F35 HydrophobicContact CG-CE1 4.15Å; F27-F35 AromaticContact CG-CE2 4Å; F27-F35 HydrophobicContact CG-CE2 4Å; F27-F35 AromaticContact CG-CZ 3.68Å; F27-F35 HydrophobicContact CG-CZ 3.68Å; L29-F35 HydrophobicContact CB-CD2 3.93Å; L29-F35 HydrophobicContact CB-CE2 4.33Å; L29-F35 HydrophobicContact CD1-CB 4.3Å; L29-F35 HydrophobicContact CD1-CD2 4.04Å; G33-F35 PolarHBondContact O-N 2.84Å; F35-F54 HydrophobicContact CB-CB 4.37Å; F35-F54 AromaticContact CD1-CD2 3.92Å; F35-F54 HydrophobicContact CD1-CD2 3.92Å; F35-F54 PolarHBondContact N-O 3.13Å; F35-F54 WeakPolarHBondContact O-CD2 3.28Å; F35-F54 PolarHBondContact O-N 3.44Å; F35-V56 HydrophobicContact CB-CG1 3.79Å; F35-V56 HydrophobicContact CG-CG1 4.3Å; F35-I74 HydrophobicContact CD1-CD1 3.86Å; F35-I74 HydrophobicContact CE1-CD1 3.72Å; F35-F87 HydrophobicContact CD1-CZ 4.41Å; F35-F87 HydrophobicContact CE1-CE1 4.01Å; F35-F87 HydrophobicContact CE1-CE2 4.28Å; F35-F87 AromaticContact CE1-CZ 3.81Å; F35-F87 HydrophobicContact CE1-CZ 3.81Å; F35-W98 HydrophobicContact CD2-CZ3 4.48Å; F35-W98 AromaticContact CE2-CE3 3.97Å; F35-W98 HydrophobicContact CE2-CE3 3.97Å; F35-W98 HydrophobicContact CE2-CH2 4.13Å; F35-W98 AromaticContact CE2-CZ3 3.53Å; F35-W98 HydrophobicContact CE2-CZ3 3.53Å; F35-W98 HydrophobicContact CZ-CE3 4.38Å; F35-W98 HydrophobicContact CZ-CZ3 4.27Å; F35-I102 HydrophobicContact CZ-CD1 4.42Å
36	I	86.3	Confident	80	Confident	12 Å²	12	58.2 Å²	58.2	6%	0.062	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.6	-161.8	-47.7	179.3	0	0	0	110	F27 L28 K30 Y38 P50 N52	F27-I36 CarbonylContact C-O 3.57Å; F27-I36 VanDerWaalsContact CA-O 3.25Å; F27-I36 WeakPolarHBondContact CA-O 3.49Å; L28-I36 PolarHBondContact N-O 2.81Å; L28-I36 PolarHBondContact O-N 3.28Å; K30-I36 HydrophobicContact CD-CD1 4.1Å; I36-Y38 HydrophobicContact CB-CE2 4.07Å; I36-Y38 HydrophobicContact CG2-CD2 4.41Å; I36-Y38 HydrophobicContact CG2-CE1 4.47Å; I36-Y38 HydrophobicContact CG2-CE2 3.57Å; I36-P50 HydrophobicContact CG2-CB 3.26Å; I36-P50 HydrophobicContact CG2-CG 4.23Å; I36-N52 CarbonylContact C-O 3.23Å; I36-N52 VanDerWaalsContact CA-O 3.23Å; I36-N52 WeakPolarHBondContact CA-O 3.45Å; I36-N52 WeakPolarHBondContact CG2-O 3.24Å
37	G	85.1	Confident	78.1	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134	-179.9	0	0	0	0	0	112.9	Y26 F27 L51 N52	Y26-G37 WeakPolarHBondContact O-CA 3.29Å; F27-G37 VanDerWaalsContact CD1-CA 3.45Å; F27-G37 VanDerWaalsContact CE1-CA 3.43Å; G37-L51 PolarHBondContact O-N 3.33Å; G37-N52 PolarHBondContact N-O 3.43Å; G37-N52 PolarHBondContact O-N 2.77Å
38	Y	80.9	Confident	76.2	Confident	11 Å²	11	67 Å²	67	4%	0.043	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	157	178.1	-59.7	-93.9	0	0	0	110.8	R25 Y26 L28 I36 E40 P42 P48 P50	R25-Y38 CarbonylContact C-O 3.6Å; R25-Y38 VanDerWaalsContact CA-O 3.29Å; R25-Y38 WeakPolarHBondContact CA-O 3.48Å; R25-Y38 WeakPolarHBondContact CD-O 3.5Å; Y26-Y38 PolarHBondContact N-O 2.63Å; Y26-Y38 PolarHBondContact O-N 2.95Å; L28-Y38 HydrophobicContact CD1-CD2 4.36Å; L28-Y38 HydrophobicContact CD1-CE2 3.59Å; L28-Y38 HydrophobicContact CG-CD2 4.28Å; L28-Y38 HydrophobicContact CG-CE2 3.85Å; I36-Y38 HydrophobicContact CB-CE2 4.07Å; I36-Y38 HydrophobicContact CG2-CD2 4.41Å; I36-Y38 HydrophobicContact CG2-CE1 4.47Å; I36-Y38 HydrophobicContact CG2-CE2 3.57Å; Y38-E40 VanDerWaalsContact C-N 3.32Å; Y38-E40 WeakPolarHBondContact CB-O 3.37Å; Y38-P42 HydrophobicContact CD1-CG 3.78Å; Y38-P42 HydrophobicContact CD2-CG 3.54Å; Y38-P42 HydrophobicContact CE1-CG 3.98Å; Y38-P42 HydrophobicContact CE2-CG 3.78Å; Y38-P42 HydrophobicContact CG-CG 3.55Å; Y38-P48 HydrophobicContact CD1-CB 4.48Å; Y38-P48 WeakPolarHBondContact CD1-O 3.25Å; Y38-P48 WeakPolarHBondContact CE1-O 3.28Å; Y38-P50 HydrophobicContact CD1-CB 4.32Å; Y38-P50 HydrophobicContact CE1-CB 3.76Å
39	K	76.4	Confident	74.7	Confident	142 Å²	142	75.5 Å²	75.5	62%	0.617	38%	0.377	S	S	*	.	S	Bend	trans	-66.2	-38.4	173.8	-164.6	176.2	177.5	179	0	111.8	W11 L51	W11-K39 WeakPolarHBondContact CH2-O 3.33Å; K39-L51 HydrophobicContact CB-CD1 3.72Å; K39-L51 HydrophobicContact CG-CD1 4.35Å
40	E	77.1	Confident	73.2	Confident	134 Å²	134	77.6 Å²	77.6	63%	0.626	39%	0.391	S	S	*	.	S	Bend	trans	-133.7	159.6	-178.8	-65	-179.6	-171.8	0	0	108.9	Y38 P42	Y38-E40 VanDerWaalsContact C-N 3.32Å; Y38-E40 WeakPolarHBondContact CB-O 3.37Å; E40-P42 VanDerWaalsContact O-CD 3.31Å; E40-P42 WeakPolarHBondContact O-CD 3.46Å
41	K	80.9	Confident	71.8	Confident	97 Å²	97	76.6 Å²	76.6	42%	0.422	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-60.7	120.7	176.5	178.9	167.4	-172.4	160.2	0	109	E9 Y26 Q43	E9-K41 IonicContact OE1-NZ 2.87Å; E9-K41 PolarHBondContact OE1-NZ 3.18Å; E9-K41 IonicContact OE2-NZ 2.77Å; Y26-K41 HydrophobicContact CD1-CB 4.01Å; Y26-K41 HydrophobicContact CD1-CG 3.92Å; Y26-K41 HydrophobicContact CD2-CB 4.09Å; Y26-K41 HydrophobicContact CD2-CG 4.49Å; Y26-K41 HydrophobicContact CE1-CB 4.15Å; Y26-K41 HydrophobicContact CE1-CD 3.86Å; Y26-K41 HydrophobicContact CE1-CG 3.6Å; Y26-K41 HydrophobicContact CE2-CB 4.25Å; Y26-K41 HydrophobicContact CE2-CD 4.01Å; Y26-K41 HydrophobicContact CE2-CG 4.25Å; Y26-K41 HydrophobicContact CG-CB 3.97Å; Y26-K41 HydrophobicContact CG-CG 4.34Å; Y26-K41 WeakPolarHBondContact OH-CE 3.34Å; Y26-K41 PolarHBondContact OH-NZ 2.6Å; K41-Q43 PolarHBondContact O-N 3.43Å
42	P	72.9	Confident	70.8	Confident	26 Å²	26	75.7 Å²	75.7	17%	0.169	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-58.7	128.4	176.6	-22.4	33.7	0	0	0	110.1	L28 Y38 E40	L28-P42 HydrophobicContact CD1-CG 4.35Å; Y38-P42 HydrophobicContact CD1-CG 3.78Å; Y38-P42 HydrophobicContact CD2-CG 3.54Å; Y38-P42 HydrophobicContact CE1-CG 3.98Å; Y38-P42 HydrophobicContact CE2-CG 3.78Å; Y38-P42 HydrophobicContact CG-CG 3.55Å; E40-P42 VanDerWaalsContact O-CD 3.31Å; E40-P42 WeakPolarHBondContact O-CD 3.46Å
43	Q	70.9	Confident	70.2	Confident	160 Å²	160	75.2 Å²	75.2	75%	0.748	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-93.6	148.6	166.8	-63	-174.6	17.4	0	0	108.3	K41 V45 D46	K41-Q43 PolarHBondContact O-N 3.43Å; Q43-V45 PolarHBondContact O-N 3.28Å; Q43-D46 PolarHBondContact O-N 2.9Å
44	D	59.4	Low	69.9	Low	177 Å²	177	76.8 Å²	76.8	95%	0.947	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-15.4	-171.9	-93.2	-30.1	0	0	0	115.6
45	V	47.3	Very low	69.6	Low	126 Å²	126	79 Å²	79	76%	0.764	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-22.3	-165.7	-169.1	0	0	0	0	113.9	Q43	Q43-V45 PolarHBondContact O-N 3.28Å
46	D	46.8	Very low	69.3	Low	136 Å²	136	79 Å²	79	73%	0.727	40%	0.402	S	S	*	.	S	Bend	trans	-142	96.3	177.5	-79	-45.9	0	0	0	108.5	Q43 P48	Q43-D46 PolarHBondContact O-N 2.9Å; D46-P48 WeakPolarHBondContact O-CD 3.42Å
47	L	49.9	Very low	69	Low	145 Å²	145	79.6 Å²	79.6	76%	0.759	41%	0.409	S	S	*	.			trans	-62.1	105.3	176.2	-79	155.7	0	0	0	108.9
48	P	53.5	Low	68.8	Low	56 Å²	56	85.8 Å²	85.8	36%	0.364	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-65.8	141.7	173.4	-8	25.9	0	0	0	107.3	Y38 D46	Y38-P48 HydrophobicContact CD1-CB 4.48Å; Y38-P48 WeakPolarHBondContact CD1-O 3.25Å; Y38-P48 WeakPolarHBondContact CE1-O 3.28Å; D46-P48 WeakPolarHBondContact O-CD 3.42Å
49	Y	59.5	Low	68.9	Low	189 Å²	189	86.1 Å²	86.1	74%	0.741	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-54.2	126.8	176.2	-72.1	-84.4	0	0	0	109.9	L51	Y49-L51 PolarHBondContact O-N 3.36Å
50	P	62.4	Low	69.4	Low	45 Å²	45	84.3 Å²	84.3	29%	0.292	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-63.3	124.1	179.4	25.4	-32.9	0	0	0	109.5	I36 Y38 N52	I36-P50 HydrophobicContact CG2-CB 3.26Å; I36-P50 HydrophobicContact CG2-CG 4.23Å; Y38-P50 HydrophobicContact CD1-CB 4.32Å; Y38-P50 HydrophobicContact CE1-CB 3.76Å; P50-N52 VanDerWaalsContact C-N 3.33Å
51	L	62.5	Low	70	Confident	35 Å²	35	79.4 Å²	79.4	18%	0.183	41%	0.412	C	S	.	.	S	Bend	trans	-75.1	-30	177.9	-69.6	-175.3	0	0	0	111.5	G37 K39 Y49 N321	G37-L51 PolarHBondContact O-N 3.33Å; K39-L51 HydrophobicContact CB-CD1 3.72Å; K39-L51 HydrophobicContact CG-CD1 4.35Å; Y49-L51 PolarHBondContact O-N 3.36Å; L51-N321 WeakPolarHBondContact CB-OD1 3.04Å; L51-N321 WeakPolarHBondContact O-CA 3.35Å; L51-N321 PolarHBondContact O-OD1 3.38Å
52	N	67	Low	70.4	Confident	4 Å²	4	78.3 Å²	78.3	2%	0.021	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	131.5	179.8	-57.6	124	0	0	0	108.9	K14 F27 I36 G37 P50 F54 D320	K14-N52 PolarHBondContact NZ-ND2 2.86Å; F27-N52 HydrophobicContact CE1-CB 4.22Å; F27-N52 HydrophobicContact CZ-CB 4.34Å; I36-N52 CarbonylContact C-O 3.23Å; I36-N52 VanDerWaalsContact CA-O 3.23Å; I36-N52 WeakPolarHBondContact CA-O 3.45Å; I36-N52 WeakPolarHBondContact CG2-O 3.24Å; G37-N52 PolarHBondContact N-O 3.43Å; G37-N52 PolarHBondContact O-N 2.77Å; P50-N52 VanDerWaalsContact C-N 3.33Å; N52-F54 HydrophobicContact CB-CE1 4.47Å; N52-F54 HydrophobicContact CB-CE2 3.65Å; N52-F54 HydrophobicContact CB-CZ 3.62Å; N52-D320 PolarHBondContact ND2-O 3.27Å
53	N	75.6	Confident	71.3	Confident	59 Å²	59	81.7 Å²	81.7	32%	0.316	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	107.9	176.3	-175.7	-2.3	0	0	0	108.8	K304	N53-K304 PolarHBondContact O-NZ 2.83Å
54	F	78.5	Confident	72.3	Confident	33 Å²	33	76 Å²	76	15%	0.145	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	156	-177.8	-45.7	-63.7	0	0	0	110.4	K14 F27 F35 N52 R85 F87	K14-F54 HydrophobicContact CD-CZ 4.37Å; F27-F54 HydrophobicContact CE1-CD2 4.15Å; F27-F54 AromaticContact CE1-CE2 3.77Å; F27-F54 HydrophobicContact CE1-CE2 3.77Å; F27-F54 HydrophobicContact CZ-CE2 4.1Å; F35-F54 HydrophobicContact CB-CB 4.37Å; F35-F54 AromaticContact CD1-CD2 3.92Å; F35-F54 HydrophobicContact CD1-CD2 3.92Å; F35-F54 PolarHBondContact N-O 3.13Å; F35-F54 WeakPolarHBondContact O-CD2 3.28Å; F35-F54 PolarHBondContact O-N 3.44Å; N52-F54 HydrophobicContact CB-CE1 4.47Å; N52-F54 HydrophobicContact CB-CE2 3.65Å; N52-F54 HydrophobicContact CB-CZ 3.62Å; F54-R85 HydrophobicContact CE1-CG 4.31Å; F54-F87 HydrophobicContact CD2-CZ 4.47Å; F54-F87 HydrophobicContact CE2-CE1 4.46Å; F54-F87 HydrophobicContact CE2-CZ 4.06Å
55	S	80.7	Confident	73.8	Confident	71 Å²	71	72.3 Å²	72.3	50%	0.497	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	131.6	165.2	-177.6	0	0	0	0	109.8	G33 A57 C76	G33-S55 CarbonylContact O-C 3.26Å; G33-S55 WeakPolarHBondContact O-CA 3.22Å; S55-A57 PolarHBondContact OG-N 2.71Å; S55-C76 PolarHBondContact O-SG 2.74Å
56	V	82.6	Confident	75.6	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	38%	0.375	C	S	.	.			trans	-100	7.3	174.4	-60.2	0	0	0	0	112.9	L29 G33 F35 K58 C59 I74 I102 V105 A106	L29-V56 HydrophobicContact CD1-CG2 3.8Å; G33-V56 WeakPolarHBondContact O-CG2 3.43Å; G33-V56 PolarHBondContact O-N 3.12Å; F35-V56 HydrophobicContact CB-CG1 3.79Å; F35-V56 HydrophobicContact CG-CG1 4.3Å; V56-K58 PolarHBondContact O-N 2.91Å; V56-C59 HydrophobicContact CB-CB 4.41Å; V56-C59 PolarHBondContact O-N 3.13Å; V56-C59 PolarHBondContact O-SG 2.67Å; V56-I74 HydrophobicContact CG1-CD1 4.39Å; V56-I74 HydrophobicContact CG1-CG2 4.37Å; V56-I102 HydrophobicContact CB-CG2 3.84Å; V56-I102 HydrophobicContact CG1-CG2 3.86Å; V56-I102 HydrophobicContact CG2-CG2 4.16Å; V56-V105 HydrophobicContact CG2-CG1 4.15Å; V56-A106 WeakPolarHBondContact O-CB 3.48Å
57	A	79.5	Confident	77.3	Confident	26 Å²	26	72.7 Å²	72.7	22%	0.215	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-33.3	-174.3	0	0	0	0	0	113.9	S55 L109	S55-A57 PolarHBondContact OG-N 2.71Å; A57-L109 HydrophobicContact CB-CB 4.35Å; A57-L109 HydrophobicContact CB-CD1 3.72Å
58	K	79.9	Confident	79.1	Confident	129 Å²	129	69.7 Å²	69.7	56%	0.561	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.8	58	178.5	-61.9	-174.9	-176.8	-176.7	0	110	V56 E113	V56-K58 PolarHBondContact O-N 2.91Å; K58-E113 WeakPolarHBondContact CE-OE2 3.23Å; K58-E113 VanDerWaalsContact NZ-CD 3.32Å; K58-E113 IonicContact NZ-OE1 2.73Å; K58-E113 PolarHBondContact NZ-OE1 3.43Å; K58-E113 IonicContact NZ-OE2 3.15Å; K58-E113 PolarHBondContact NZ-OE2 3.2Å
59	C	84.1	Confident	80.8	Confident	18 Å²	18	70.8 Å²	70.8	12%	0.122	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	148.8	-179.3	78.5	0	0	0	0	113	V56 I74 R75 C76	V56-C59 HydrophobicContact CB-CB 4.41Å; V56-C59 PolarHBondContact O-N 3.13Å; V56-C59 PolarHBondContact O-SG 2.67Å; C59-I74 HydrophobicContact CB-CG2 3.63Å; C59-R75 CarbonylContact C-O 3.36Å; C59-R75 VanDerWaalsContact CA-O 3.27Å; C59-R75 WeakPolarHBondContact CA-O 3.5Å; C59-C76 WeakPolarHBondContact CB-SG 3.3Å
60	Q	86.3	Confident	82.4	Confident	105 Å²	105	62.7 Å²	62.7	49%	0.491	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.4	164.6	-178.7	179.7	32.2	0	0	108.5	R75	Q60-R75 HydrophobicContact CB-CB 4.31Å; Q60-R75 PolarHBondContact N-O 3.41Å; Q60-R75 PolarHBondContact O-N 2.89Å
61	L	89.1	Confident	84	Confident	31 Å²	31	60.6 Å²	60.6	16%	0.162	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	137.8	175.8	-73.4	167	0	0	0	111.1	I73 I74 T99 I102 Q103	L61-I73 WeakPolarHBondContact CA-O 3.27Å; L61-I74 HydrophobicContact CD2-CB 4.41Å; L61-I74 HydrophobicContact CD2-CG1 3.75Å; L61-T99 WeakPolarHBondContact CD1-O 3.47Å; L61-T99 HydrophobicContact CD2-CG2 4.49Å; L61-I102 HydrophobicContact CD1-CB 3.96Å; L61-I102 HydrophobicContact CD1-CG2 3.85Å; L61-I102 HydrophobicContact CD2-CB 4.47Å; L61-I102 HydrophobicContact CD2-CD1 4.43Å; L61-I102 HydrophobicContact CD2-CG2 4.04Å; L61-I102 HydrophobicContact CG-CG2 4.22Å; L61-Q103 HydrophobicContact CD1-CB 3.96Å
62	M	89.6	Confident	85.5	Confident	73 Å²	73	58.9 Å²	58.9	36%	0.36	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137	172.4	-57.9	174.9	63.9	0	0	109.7	F72 I73	M62-F72 CarbonylContact O-C 3.51Å; M62-F72 VanDerWaalsContact O-CA 3.26Å; M62-F72 WeakPolarHBondContact O-CA 3.3Å; M62-I73 HydrophobicContact CB-CB 4.29Å; M62-I73 PolarHBondContact N-O 3.47Å; M62-I73 PolarHBondContact O-N 3.33Å
63	K	92.7	Very high	86.6	Confident	97 Å²	97	59.8 Å²	59.8	42%	0.422	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	135.2	174.6	-61.1	175.5	-173.8	178.7	0	109	E96 T99	K63-E96 IonicContact NZ-OE1 3.34Å; K63-E96 PolarHBondContact NZ-OE1 2.86Å; K63-E96 IonicContact NZ-OE2 3.36Å; K63-E96 PolarHBondContact NZ-OE2 2.93Å; K63-T99 WeakPolarHBondContact CE-OG1 3.27Å; K63-T99 HydrophobicContact CG-CG2 4.33Å; K63-T99 PolarHBondContact NZ-OG1 2.95Å
64	T	91.8	Very high	87.3	Confident	42 Å²	42	57.2 Å²	57.2	26%	0.258	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	150.7	-178.8	171.3	0	0	0	0	110.5	R66 T71 I73	T64-R66 VanDerWaalsContact C-N 3.31Å; T64-R66 WeakPolarHBondContact CG2-O 3.11Å; T64-R66 PolarHBondContact OG1-N 3.01Å; T64-R66 PolarHBondContact OG1-O 3.07Å; T64-T71 HydrophobicContact CG2-CG2 3.55Å; T64-T71 PolarHBondContact N-O 3.01Å; T64-T71 CarbonylContact O-C 3.16Å; T64-T71 WeakPolarHBondContact O-CA 3.25Å; T64-T71 VanDerWaalsContact O-CB 3.3Å; T64-T71 WeakPolarHBondContact O-CB 3.35Å; T64-T71 PolarHBondContact O-N 3.41Å; T64-I73 HydrophobicContact CG2-CD1 3.92Å; T64-I73 HydrophobicContact CG2-CG1 4.19Å
65	E	91.3	Very high	87.3	Confident	99 Å²	99	59.2 Å²	59.2	46%	0.463	29%	0.292	S	S	.	.	S	Bend	trans	-93.1	6.4	172.8	-59.6	-54.5	148.4	0	0	112.4	K68 P69 N70 R95	E65-K68 CarbonylContact C-O 3.55Å; E65-K68 CarbonylContact O-C 3.25Å; E65-K68 VanDerWaalsContact O-C 3.25Å; E65-K68 VanDerWaalsContact O-O 3.07Å; E65-P69 VanDerWaalsContact OE2-CA 3.3Å; E65-P69 WeakPolarHBondContact OE2-CA 3.48Å; E65-N70 PolarHBondContact OE2-N 2.97Å; E65-R95 IonicContact OE1-CZ 2.63Å; E65-R95 IonicContact OE1-NH1 3.62Å; E65-R95 PolarHBondContact OE1-NH1 2.73Å; E65-R95 IonicContact OE1-NH2 3.26Å; E65-R95 PolarHBondContact OE1-NH2 3.12Å
66	R	84.6	Confident	86.9	Confident	205 Å²	205	57 Å²	57	77%	0.774	28%	0.276	S	S	*	.	S	Bend	trans	-128.8	143	177.5	-66.9	-174	-179.3	-172.9	1.1	110.6	T64	T64-R66 VanDerWaalsContact C-N 3.31Å; T64-R66 WeakPolarHBondContact CG2-O 3.11Å; T64-R66 PolarHBondContact OG1-N 3.01Å; T64-R66 PolarHBondContact OG1-O 3.07Å
67	P	82.7	Confident	85.6	Confident	64 Å²	64	62.1 Å²	62.1	42%	0.416	30%	0.303	S	S	.	.	S	Bend	cis	-84.4	-7.8	8.7	27.3	-23.4	0	0	0	115	W22	W22-P67 HydrophobicContact CZ2-CG 3.78Å
68	K	87.3	Confident	84.3	Confident	83 Å²	83	65.5 Å²	65.5	36%	0.361	31%	0.314	S	S	.	.	S	Bend	trans	-128.4	159.1	168	-77.5	-168.1	169.3	-171	0	110.4	W22 E65 T71 H88	W22-K68 HydrophobicContact CD2-CD 4.35Å; W22-K68 HydrophobicContact CG-CD 4.38Å; W22-K68 HydrophobicContact CZ2-CB 4.02Å; W22-K68 HydrophobicContact CZ2-CD 4.2Å; W22-K68 HydrophobicContact CZ2-CG 3.99Å; E65-K68 CarbonylContact C-O 3.55Å; E65-K68 CarbonylContact O-C 3.25Å; E65-K68 VanDerWaalsContact O-C 3.25Å; E65-K68 VanDerWaalsContact O-O 3.07Å; K68-T71 WeakPolarHBondContact O-CB 3.5Å; K68-T71 PolarHBondContact O-OG1 2.84Å; K68-H88 WeakPolarHBondContact CB-CD2 3.42Å
69	P	89.7	Confident	82.7	Confident	78 Å²	78	70.4 Å²	70.4	51%	0.506	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	154.4	172.6	-24.8	34.9	0	0	0	112.2	E65 T71 H88	E65-P69 VanDerWaalsContact OE2-CA 3.3Å; E65-P69 WeakPolarHBondContact OE2-CA 3.48Å; P69-T71 PolarHBondContact O-N 3.46Å; P69-H88 PolarHBondContact O-CD2 2.87Å; P69-H88 PolarHBondContact O-NE2 2.83Å
70	N	93.3	Very high	80.9	Confident	20 Å²	20	74.4 Å²	74.4	11%	0.107	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	27.8	176.3	-44.6	-42.1	0	0	0	114.1	E65 V89 D90 P92 R95	E65-N70 PolarHBondContact OE2-N 2.97Å; N70-V89 HydrophobicContact CB-CG2 4.19Å; N70-V89 VanDerWaalsContact CB-O 3.3Å; N70-V89 WeakPolarHBondContact CB-O 3.05Å; N70-V89 PolarHBondContact ND2-O 2.88Å; N70-D90 PolarHBondContact ND2-O 2.63Å; N70-P92 WeakPolarHBondContact OD1-CA 3.34Å; N70-R95 HydrophobicContact CB-CB 4.44Å
71	T	94.6	Very high	78.9	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	141.6	176.2	-67.6	0	0	0	0	110	W22 T64 K68 P69 I73 T86 F87	W22-T71 HydrophobicContact CH2-CG2 4.38Å; T64-T71 HydrophobicContact CG2-CG2 3.55Å; T64-T71 PolarHBondContact N-O 3.01Å; T64-T71 CarbonylContact O-C 3.16Å; T64-T71 WeakPolarHBondContact O-CA 3.25Å; T64-T71 VanDerWaalsContact O-CB 3.3Å; T64-T71 WeakPolarHBondContact O-CB 3.35Å; T64-T71 PolarHBondContact O-N 3.41Å; K68-T71 WeakPolarHBondContact O-CB 3.5Å; K68-T71 PolarHBondContact O-OG1 2.84Å; P69-T71 PolarHBondContact O-N 3.46Å; T71-I73 HydrophobicContact CG2-CG1 4.45Å; T71-T86 HydrophobicContact CG2-CG2 3.46Å; T71-T86 VanDerWaalsContact CG2-CG2 3.46Å; T71-F87 CarbonylContact C-O 3.46Å; T71-F87 WeakPolarHBondContact CA-O 3.15Å; T71-F87 VanDerWaalsContact CG2-O 3.28Å; T71-F87 WeakPolarHBondContact CG2-O 3.46Å
72	F	93.8	Very high	77.6	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147	166.1	65.3	-83.9	0	0	0	110.5	V12 M62 I74 F87 V89 R95 W98 T99 I102	V12-F72 HydrophobicContact CG1-CE1 4.13Å; V12-F72 HydrophobicContact CG1-CZ 3.99Å; M62-F72 CarbonylContact O-C 3.51Å; M62-F72 VanDerWaalsContact O-CA 3.26Å; M62-F72 WeakPolarHBondContact O-CA 3.3Å; F72-I74 HydrophobicContact CD2-CG1 4.21Å; F72-I74 HydrophobicContact CE2-CD1 4.25Å; F72-I74 HydrophobicContact CE2-CG1 4.23Å; F72-F87 HydrophobicContact CD1-CB 3.97Å; F72-F87 HydrophobicContact CD2-CB 3.99Å; F72-F87 HydrophobicContact CD2-CD2 4.11Å; F72-F87 HydrophobicContact CD2-CG 4.42Å; F72-F87 HydrophobicContact CE1-CB 3.56Å; F72-F87 HydrophobicContact CE2-CB 3.57Å; F72-F87 AromaticContact CE2-CD2 3.7Å; F72-F87 HydrophobicContact CE2-CD2 3.7Å; F72-F87 AromaticContact CE2-CG 3.81Å; F72-F87 HydrophobicContact CE2-CG 3.81Å; F72-F87 HydrophobicContact CG-CB 4.18Å; F72-F87 HydrophobicContact CZ-CB 3.36Å; F72-F87 HydrophobicContact CZ-CD2 4.28Å; F72-F87 AromaticContact CZ-CG 3.89Å; F72-F87 HydrophobicContact CZ-CG 3.89Å; F72-F87 PolarHBondContact N-O 2.73Å; F72-F87 PolarHBondContact O-N 2.87Å; F72-F87 VanDerWaalsContact O-O 3.13Å; F72-V89 HydrophobicContact CE1-CG1 4.08Å; F72-V89 HydrophobicContact CE1-CG2 4.46Å; F72-R95 HydrophobicContact CB-CG 4.18Å; F72-R95 HydrophobicContact CD1-CG 4.1Å; F72-W98 HydrophobicContact CE1-CB 4.26Å; F72-W98 HydrophobicContact CZ-CB 4.04Å; F72-W98 HydrophobicContact CZ-CG 4.3Å; F72-T99 HydrophobicContact CB-CG2 3.73Å; F72-T99 HydrophobicContact CD2-CG2 4.17Å; F72-T99 HydrophobicContact CG-CG2 3.97Å; F72-I102 HydrophobicContact CE2-CD1 4.09Å
73	I	90.9	Very high	76.4	Confident	23 Å²	23	73.5 Å²	73.5	12%	0.118	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126.9	-178.5	-57.1	170.4	0	0	0	107.6	L61 M62 T64 T71 E84 R85 T86	L61-I73 WeakPolarHBondContact CA-O 3.27Å; M62-I73 HydrophobicContact CB-CB 4.29Å; M62-I73 PolarHBondContact N-O 3.47Å; M62-I73 PolarHBondContact O-N 3.33Å; T64-I73 HydrophobicContact CG2-CD1 3.92Å; T64-I73 HydrophobicContact CG2-CG1 4.19Å; T71-I73 HydrophobicContact CG2-CG1 4.45Å; I73-E84 HydrophobicContact CG2-CB 4.04Å; I73-E84 HydrophobicContact CG2-CG 4.31Å; I73-R85 CarbonylContact C-O 3.56Å; I73-R85 WeakPolarHBondContact CA-O 3.42Å; I73-T86 HydrophobicContact CG1-CG2 4.1Å
74	I	89.4	Confident	75.8	Confident	4 Å²	4	73 Å²	73	2%	0.021	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	114.1	169.9	-49.9	-179.4	0	0	0	106.8	F35 V56 C59 L61 F72 R85 F87 I102	F35-I74 HydrophobicContact CD1-CD1 3.86Å; F35-I74 HydrophobicContact CE1-CD1 3.72Å; V56-I74 HydrophobicContact CG1-CD1 4.39Å; V56-I74 HydrophobicContact CG1-CG2 4.37Å; C59-I74 HydrophobicContact CB-CG2 3.63Å; L61-I74 HydrophobicContact CD2-CB 4.41Å; L61-I74 HydrophobicContact CD2-CG1 3.75Å; F72-I74 HydrophobicContact CD2-CG1 4.21Å; F72-I74 HydrophobicContact CE2-CD1 4.25Å; F72-I74 HydrophobicContact CE2-CG1 4.23Å; I74-R85 PolarHBondContact N-O 2.83Å; I74-R85 PolarHBondContact O-N 2.78Å; I74-F87 HydrophobicContact CB-CE2 4.12Å; I74-F87 HydrophobicContact CD1-CD2 3.98Å; I74-F87 HydrophobicContact CD1-CE2 3.47Å; I74-F87 VanDerWaalsContact CD1-CE2 3.47Å; I74-F87 HydrophobicContact CD1-CZ 4.2Å; I74-F87 HydrophobicContact CG1-CD2 3.89Å; I74-F87 HydrophobicContact CG1-CE2 3.64Å; I74-I102 HydrophobicContact CD1-CD1 3.74Å; I74-I102 HydrophobicContact CG1-CD1 4.45Å
75	R	79.7	Confident	75.4	Confident	76 Å²	76	72.2 Å²	72.2	29%	0.287	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	112.4	175.1	-177.6	-173.9	-80.9	166.2	-6.1	108.5	C59 Q60 V82 I83 E84	C59-R75 CarbonylContact C-O 3.36Å; C59-R75 VanDerWaalsContact CA-O 3.27Å; C59-R75 WeakPolarHBondContact CA-O 3.5Å; Q60-R75 HydrophobicContact CB-CB 4.31Å; Q60-R75 PolarHBondContact N-O 3.41Å; Q60-R75 PolarHBondContact O-N 2.89Å; R75-V82 VanDerWaalsContact CD-CG1 3.43Å; R75-V82 HydrophobicContact CG-CG1 3.25Å; R75-I83 CarbonylContact C-O 3.6Å; R75-I83 WeakPolarHBondContact CA-O 3.38Å; R75-E84 HydrophobicContact CB-CG 4.18Å; R75-E84 HydrophobicContact CG-CG 3.96Å; R75-E84 IonicContact CZ-OE1 3.97Å; R75-E84 IonicContact NE-OE1 3.44Å; R75-E84 PolarHBondContact NE-OE1 3.32Å; R75-E84 IonicContact NH2-OE1 2.9Å; R75-E84 PolarHBondContact NH2-OE1 2.94Å
76	C	72.6	Confident	75.3	Confident	23 Å²	23	68.6 Å²	68.6	16%	0.155	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	146.6	178.3	-61.6	0	0	0	0	110.3	S55 C59 I83	S55-C76 PolarHBondContact O-SG 2.74Å; C59-C76 WeakPolarHBondContact CB-SG 3.3Å; C76-I83 PolarHBondContact N-O 3.5Å; C76-I83 PolarHBondContact O-N 3.35Å
77	L	55.6	Low	75.7	Confident	108 Å²	108	58.8 Å²	58.8	57%	0.565	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	114.5	166.6	-166.9	74.7	0	0	0	108.6	V82	L77-V82 HydrophobicContact CD1-CG2 3.85Å
78	Q	50.4	Low	76.2	Confident	97 Å²	97	56.5 Å²	56.5	45%	0.453	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	107.6	171.2	-163.2	169.2	1.4	0	0	108.3	T80 T81 I83	Q78-T80 PolarHBondContact O-N 3.31Å; Q78-T80 VanDerWaalsContact O-N 3.09Å; Q78-T81 PolarHBondContact N-O 2.91Å; Q78-T81 PolarHBondContact O-N 3.12Å; Q78-I83 HydrophobicContact CB-CD1 3.59Å; Q78-I83 HydrophobicContact CB-CG1 4.28Å; Q78-I83 HydrophobicContact CG-CD1 4.31Å
79	W	46.7	Very low	76.6	Confident	233 Å²	233	52.7 Å²	52.7	88%	0.883	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	-103.5	-169.7	-51.1	97.7	0	0	0	111.9
80	T	46.5	Very low	76.7	Confident	101 Å²	101	54.8 Å²	54.8	62%	0.62	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	-9.6	179.6	47.4	0	0	0	0	112.3	Q78 D188	Q78-T80 PolarHBondContact O-N 3.31Å; Q78-T80 VanDerWaalsContact O-N 3.09Å; T80-D188 PolarHBondContact OG1-OD2 3.13Å; T80-D188 VanDerWaalsContact OG1-OD2 3.11Å
81	T	45.3	Very low	76.7	Confident	79 Å²	79	56.1 Å²	56.1	49%	0.485	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.7	-173.7	-56.1	0	0	0	0	110.6	Q78 I83	Q78-T81 PolarHBondContact N-O 2.91Å; Q78-T81 PolarHBondContact O-N 3.12Å; T81-I83 HydrophobicContact CG2-CG1 4.43Å
82	V	60.8	Low	76.7	Confident	81 Å²	81	58.8 Å²	58.8	49%	0.491	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	116.1	172.4	177.4	0	0	0	0	108.2	R75 L77	R75-V82 VanDerWaalsContact CD-CG1 3.43Å; R75-V82 HydrophobicContact CG-CG1 3.25Å; L77-V82 HydrophobicContact CD1-CG2 3.85Å
83	I	65.7	Low	76.7	Confident	31 Å²	31	64.4 Å²	64.4	16%	0.159	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	123.6	178.6	-59.9	-179.9	0	0	0	108.6	R75 C76 Q78 T81 R85	R75-I83 CarbonylContact C-O 3.6Å; R75-I83 WeakPolarHBondContact CA-O 3.38Å; C76-I83 PolarHBondContact N-O 3.5Å; C76-I83 PolarHBondContact O-N 3.35Å; Q78-I83 HydrophobicContact CB-CD1 3.59Å; Q78-I83 HydrophobicContact CB-CG1 4.28Å; Q78-I83 HydrophobicContact CG-CD1 4.31Å; T81-I83 HydrophobicContact CG2-CG1 4.43Å; I83-R85 HydrophobicContact CG2-CG 4.32Å; I83-R85 VanDerWaalsContact CG2-CZ 3.44Å; I83-R85 VanDerWaalsContact CG2-NH1 3.26Å
84	E	80.4	Confident	76.9	Confident	85 Å²	85	66.6 Å²	66.6	40%	0.397	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.8	174.7	-68.6	-176.8	-177.6	0	0	110.5	I73 R75	I73-E84 HydrophobicContact CG2-CB 4.04Å; I73-E84 HydrophobicContact CG2-CG 4.31Å; R75-E84 HydrophobicContact CB-CG 4.18Å; R75-E84 HydrophobicContact CG-CG 3.96Å; R75-E84 IonicContact CZ-OE1 3.97Å; R75-E84 IonicContact NE-OE1 3.44Å; R75-E84 PolarHBondContact NE-OE1 3.32Å; R75-E84 IonicContact NH2-OE1 2.9Å; R75-E84 PolarHBondContact NH2-OE1 2.94Å
85	R	81.9	Confident	77.2	Confident	27 Å²	27	67.8 Å²	67.8	10%	0.102	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.4	175.2	-62.2	-60.2	-172.1	-136.2	19.8	108.3	E17 F54 I73 I74 I83 F87 D320	E17-R85 IonicContact OE1-NH1 3.92Å; E17-R85 PolarHBondContact OE1-NH1 3.4Å; E17-R85 VanDerWaalsContact OE1-NH1 3.15Å; E17-R85 IonicContact OE2-CZ 2.85Å; E17-R85 IonicContact OE2-NH1 3.12Å; E17-R85 PolarHBondContact OE2-NH1 2.98Å; E17-R85 IonicContact OE2-NH2 3.87Å; E17-R85 PolarHBondContact OE2-NH2 3.31Å; F54-R85 HydrophobicContact CE1-CG 4.31Å; I73-R85 CarbonylContact C-O 3.56Å; I73-R85 WeakPolarHBondContact CA-O 3.42Å; I74-R85 PolarHBondContact N-O 2.83Å; I74-R85 PolarHBondContact O-N 2.78Å; I83-R85 HydrophobicContact CG2-CG 4.32Å; I83-R85 VanDerWaalsContact CG2-CZ 3.44Å; I83-R85 VanDerWaalsContact CG2-NH1 3.26Å; R85-F87 HydrophobicContact CB-CD2 4.39Å; R85-F87 HydrophobicContact CB-CE2 3.4Å; R85-F87 HydrophobicContact CB-CZ 3.69Å; R85-F87 VanDerWaalsContact O-CD2 3.29Å; R85-F87 WeakPolarHBondContact O-CD2 2.88Å; R85-F87 WeakPolarHBondContact O-CE2 3.32Å; R85-D320 IonicContact CZ-OD2 3.46Å; R85-D320 IonicContact NE-OD2 3.85Å; R85-D320 IonicContact NH2-OD1 2.67Å; R85-D320 PolarHBondContact NH2-OD1 2.87Å; R85-D320 VanDerWaalsContact NH2-OD1 3.17Å; R85-D320 IonicContact NH2-OD2 3.18Å; R85-D320 PolarHBondContact NH2-OD2 3.31Å
86	T	89.2	Confident	77.9	Confident	22 Å²	22	67.5 Å²	67.5	14%	0.135	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.1	-178.2	-52.4	0	0	0	0	110.6	R15 W22 T71 I73	R15-T86 HydrophobicContact CB-CG2 4.4Å; R15-T86 PolarHBondContact N-O 3.12Å; W22-T86 HydrophobicContact CH2-CG2 3.85Å; W22-T86 HydrophobicContact CZ3-CG2 4.42Å; T71-T86 HydrophobicContact CG2-CG2 3.46Å; T71-T86 VanDerWaalsContact CG2-CG2 3.46Å; I73-T86 HydrophobicContact CG1-CG2 4.1Å
87	F	93.6	Very high	79	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	153.4	-177.3	-60.1	-83.1	0	0	0	111	V12 Q13 K14 F27 F35 F54 T71 F72 I74 R85	V12-F87 HydrophobicContact CG1-CB 3.69Å; V12-F87 HydrophobicContact CG1-CD1 3.82Å; V12-F87 HydrophobicContact CG1-CG 4.15Å; Q13-F87 CarbonylContact O-C 3.39Å; Q13-F87 VanDerWaalsContact O-CA 3.3Å; Q13-F87 WeakPolarHBondContact O-CA 3.48Å; K14-F87 HydrophobicContact CB-CD1 4.15Å; K14-F87 HydrophobicContact CB-CE1 4.12Å; K14-F87 HydrophobicContact CG-CD1 4.24Å; K14-F87 HydrophobicContact CG-CE1 3.86Å; F27-F87 HydrophobicContact CE1-CE1 4.23Å; F27-F87 HydrophobicContact CE2-CD1 4.28Å; F27-F87 AromaticContact CE2-CE1 3.92Å; F27-F87 HydrophobicContact CE2-CE1 3.92Å; F27-F87 HydrophobicContact CZ-CD1 4.42Å; F27-F87 AromaticContact CZ-CE1 3.62Å; F27-F87 HydrophobicContact CZ-CE1 3.62Å; F27-F87 HydrophobicContact CZ-CZ 4.49Å; F35-F87 HydrophobicContact CD1-CZ 4.41Å; F35-F87 HydrophobicContact CE1-CE1 4.01Å; F35-F87 HydrophobicContact CE1-CE2 4.28Å; F35-F87 AromaticContact CE1-CZ 3.81Å; F35-F87 HydrophobicContact CE1-CZ 3.81Å; F54-F87 HydrophobicContact CD2-CZ 4.47Å; F54-F87 HydrophobicContact CE2-CE1 4.46Å; F54-F87 HydrophobicContact CE2-CZ 4.06Å; T71-F87 CarbonylContact C-O 3.46Å; T71-F87 WeakPolarHBondContact CA-O 3.15Å; T71-F87 VanDerWaalsContact CG2-O 3.28Å; T71-F87 WeakPolarHBondContact CG2-O 3.46Å; F72-F87 HydrophobicContact CD1-CB 3.97Å; F72-F87 HydrophobicContact CD2-CB 3.99Å; F72-F87 HydrophobicContact CD2-CD2 4.11Å; F72-F87 HydrophobicContact CD2-CG 4.42Å; F72-F87 HydrophobicContact CE1-CB 3.56Å; F72-F87 HydrophobicContact CE2-CB 3.57Å; F72-F87 AromaticContact CE2-CD2 3.7Å; F72-F87 HydrophobicContact CE2-CD2 3.7Å; F72-F87 AromaticContact CE2-CG 3.81Å; F72-F87 HydrophobicContact CE2-CG 3.81Å; F72-F87 HydrophobicContact CG-CB 4.18Å; F72-F87 HydrophobicContact CZ-CB 3.36Å; F72-F87 HydrophobicContact CZ-CD2 4.28Å; F72-F87 AromaticContact CZ-CG 3.89Å; F72-F87 HydrophobicContact CZ-CG 3.89Å; F72-F87 PolarHBondContact N-O 2.73Å; F72-F87 PolarHBondContact O-N 2.87Å; F72-F87 VanDerWaalsContact O-O 3.13Å; I74-F87 HydrophobicContact CB-CE2 4.12Å; I74-F87 HydrophobicContact CD1-CD2 3.98Å; I74-F87 HydrophobicContact CD1-CE2 3.47Å; I74-F87 VanDerWaalsContact CD1-CE2 3.47Å; I74-F87 HydrophobicContact CD1-CZ 4.2Å; I74-F87 HydrophobicContact CG1-CD2 3.89Å; I74-F87 HydrophobicContact CG1-CE2 3.64Å; R85-F87 HydrophobicContact CB-CD2 4.39Å; R85-F87 HydrophobicContact CB-CE2 3.4Å; R85-F87 HydrophobicContact CB-CZ 3.69Å; R85-F87 VanDerWaalsContact O-CD2 3.29Å; R85-F87 WeakPolarHBondContact O-CD2 2.88Å; R85-F87 WeakPolarHBondContact O-CE2 3.32Å
88	H	92.5	Very high	81	Confident	16 Å²	16	66.1 Å²	66.1	7%	0.074	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	144.3	176.8	161.3	-71.2	0	0	0	109.8	Q13 W22 K68 P69 D90	Q13-H88 HydrophobicContact CB-CB 4.04Å; Q13-H88 WeakPolarHBondContact CB-O 3.3Å; Q13-H88 PolarHBondContact N-O 2.86Å; Q13-H88 PolarHBondContact O-N 3.18Å; W22-H88 HydrophobicContact CE3-CB 3.97Å; W22-H88 HydrophobicContact CH2-CB 3.5Å; W22-H88 HydrophobicContact CZ2-CB 4.21Å; W22-H88 HydrophobicContact CZ3-CB 3.39Å; K68-H88 WeakPolarHBondContact CB-CD2 3.42Å; P69-H88 PolarHBondContact O-CD2 2.87Å; P69-H88 PolarHBondContact O-NE2 2.83Å; H88-D90 IonicContact CE1-OD1 3.47Å
89	V	95.4	Very high	83.1	Confident	3 Å²	3	61.7 Å²	61.7	2%	0.018	31%	0.308	C	S	.	.			trans	-131.1	164.2	174.2	-72	0	0	0	0	109.9	V12 N70 F72 E94 R95	V12-V89 HydrophobicContact CB-CG1 4.41Å; V12-V89 HydrophobicContact CG1-CG1 4Å; V12-V89 HydrophobicContact CG2-CG1 4.18Å; N70-V89 HydrophobicContact CB-CG2 4.19Å; N70-V89 VanDerWaalsContact CB-O 3.3Å; N70-V89 WeakPolarHBondContact CB-O 3.05Å; N70-V89 PolarHBondContact ND2-O 2.88Å; F72-V89 HydrophobicContact CE1-CG1 4.08Å; F72-V89 HydrophobicContact CE1-CG2 4.46Å; V89-E94 HydrophobicContact CB-CB 3.86Å; V89-E94 HydrophobicContact CG1-CB 4.41Å; V89-E94 HydrophobicContact CG2-CB 3.85Å; V89-R95 HydrophobicContact CG2-CB 3.64Å; V89-R95 VanDerWaalsContact CG2-N 3.35Å
90	D	93.3	Very high	85.4	Confident	121 Å²	121	56.2 Å²	56.2	65%	0.647	29%	0.293	S	S	*	.	S	Bend	trans	-80.1	-25.8	-166.4	-67.1	-30	0	0	0	111.8	N70 H88 E94	N70-D90 PolarHBondContact ND2-O 2.63Å; H88-D90 IonicContact CE1-OD1 3.47Å; D90-E94 PolarHBondContact N-OE2 3.36Å; D90-E94 VanDerWaalsContact N-OE2 3.11Å
91	T	93.6	Very high	87.7	Confident	48 Å²	48	52.2 Å²	52.2	29%	0.294	27%	0.27	S	S	.	.	S	Bend	trans	-124.4	152.1	-179.9	76.4	0	0	0	0	113.1	E93 E94 R95	T91-E93 VanDerWaalsContact CB-OE2 3.3Å; T91-E93 WeakPolarHBondContact CB-OE2 3.45Å; T91-E93 PolarHBondContact O-N 3.11Å; T91-E93 PolarHBondContact OG1-OE2 2.94Å; T91-E94 PolarHBondContact O-N 2.87Å; T91-E94 WeakPolarHBondContact OG1-CB 3.28Å; T91-E94 VanDerWaalsContact OG1-CG 3.31Å; T91-E94 WeakPolarHBondContact OG1-CG 3.29Å; T91-E94 PolarHBondContact OG1-N 2.82Å; T91-E94 VanDerWaalsContact OG1-N 3.08Å; T91-R95 PolarHBondContact O-N 2.78Å
92	P	93.8	Very high	90	Very high	56 Å²	56	48.5 Å²	48.5	36%	0.364	25%	0.247	S	C	.	.	H	α-helix	trans	-65	-29	174.2	24.9	-32	0	0	0	112.3	N70 R95 E96	N70-P92 WeakPolarHBondContact OD1-CA 3.34Å; P92-R95 WeakPolarHBondContact O-CB 3.5Å; P92-R95 PolarHBondContact O-N 2.84Å; P92-E96 PolarHBondContact O-N 2.82Å
93	E	94.6	Very high	91.5	Very high	119 Å²	119	48 Å²	48	56%	0.556	24%	0.239	S	C	*	.	H	α-helix	trans	-64.4	-46.3	175	-62.3	72.3	-154.5	0	0	110.9	T91 R95 E96 E97	T91-E93 VanDerWaalsContact CB-OE2 3.3Å; T91-E93 WeakPolarHBondContact CB-OE2 3.45Å; T91-E93 PolarHBondContact O-N 3.11Å; T91-E93 PolarHBondContact OG1-OE2 2.94Å; E93-R95 PolarHBondContact O-N 3.42Å; E93-E96 WeakPolarHBondContact O-CB 3.38Å; E93-E96 PolarHBondContact O-N 2.9Å; E93-E96 VanDerWaalsContact O-N 3.1Å; E93-E97 WeakPolarHBondContact O-CG 3.29Å; E93-E97 PolarHBondContact O-N 2.91Å
94	E	94.2	Very high	92.8	Very high	68 Å²	68	49.2 Å²	49.2	32%	0.318	25%	0.254	S	S	.	.	H	α-helix	trans	-59.7	-37.7	174.9	-77.8	178.9	160.3	0	0	111.6	V89 D90 T91 E96 E97 W98	V89-E94 HydrophobicContact CB-CB 3.86Å; V89-E94 HydrophobicContact CG1-CB 4.41Å; V89-E94 HydrophobicContact CG2-CB 3.85Å; D90-E94 PolarHBondContact N-OE2 3.36Å; D90-E94 VanDerWaalsContact N-OE2 3.11Å; T91-E94 PolarHBondContact O-N 2.87Å; T91-E94 WeakPolarHBondContact OG1-CB 3.28Å; T91-E94 VanDerWaalsContact OG1-CG 3.31Å; T91-E94 WeakPolarHBondContact OG1-CG 3.29Å; T91-E94 PolarHBondContact OG1-N 2.82Å; T91-E94 VanDerWaalsContact OG1-N 3.08Å; E94-E96 VanDerWaalsContact C-N 3.32Å; E94-E97 PolarHBondContact O-N 3.41Å; E94-W98 WeakPolarHBondContact O-CB 3.4Å; E94-W98 PolarHBondContact O-N 3.06Å
95	R	95.7	Very high	93.3	Very high	30 Å²	30	45.3 Å²	45.3	11%	0.113	24%	0.236	C	C	.	.	H	α-helix	trans	-63.7	-43.8	177.3	179.8	-175.5	64.8	-172.1	-7.4	109.9	E65 N70 F72 V89 T91 P92 E93 W98 T99	E65-R95 IonicContact OE1-CZ 2.63Å; E65-R95 IonicContact OE1-NH1 3.62Å; E65-R95 PolarHBondContact OE1-NH1 2.73Å; E65-R95 IonicContact OE1-NH2 3.26Å; E65-R95 PolarHBondContact OE1-NH2 3.12Å; N70-R95 HydrophobicContact CB-CB 4.44Å; F72-R95 HydrophobicContact CB-CG 4.18Å; F72-R95 HydrophobicContact CD1-CG 4.1Å; V89-R95 HydrophobicContact CG2-CB 3.64Å; V89-R95 VanDerWaalsContact CG2-N 3.35Å; T91-R95 PolarHBondContact O-N 2.78Å; P92-R95 WeakPolarHBondContact O-CB 3.5Å; P92-R95 PolarHBondContact O-N 2.84Å; E93-R95 PolarHBondContact O-N 3.42Å; R95-W98 PolarHBondContact O-N 3.38Å; R95-T99 HydrophobicContact CG-CG2 4.3Å; R95-T99 WeakPolarHBondContact O-CB 3.18Å; R95-T99 VanDerWaalsContact O-CG2 3.3Å; R95-T99 WeakPolarHBondContact O-CG2 3.27Å; R95-T99 PolarHBondContact O-N 3.18Å; R95-T99 PolarHBondContact O-OG1 3.22Å
96	E	95.4	Very high	93.7	Very high	69 Å²	69	44.2 Å²	44.2	32%	0.322	23%	0.233	S	C	.	.	H	α-helix	trans	-61.8	-50.7	178.5	-155.2	61.3	-154.2	0	0	110.2	K63 P92 E93 E94 W98 T99 E100	K63-E96 IonicContact NZ-OE1 3.34Å; K63-E96 PolarHBondContact NZ-OE1 2.86Å; K63-E96 IonicContact NZ-OE2 3.36Å; K63-E96 PolarHBondContact NZ-OE2 2.93Å; P92-E96 PolarHBondContact O-N 2.82Å; E93-E96 WeakPolarHBondContact O-CB 3.38Å; E93-E96 PolarHBondContact O-N 2.9Å; E93-E96 VanDerWaalsContact O-N 3.1Å; E94-E96 VanDerWaalsContact C-N 3.32Å; E96-W98 VanDerWaalsContact C-N 3.33Å; E96-W98 PolarHBondContact O-N 2.92Å; E96-T99 PolarHBondContact O-N 3.17Å; E96-T99 PolarHBondContact O-OG1 3.48Å; E96-T99 VanDerWaalsContact O-OG1 3.09Å; E96-E100 HydrophobicContact CG-CG 4.34Å; E96-E100 WeakPolarHBondContact O-CB 3.38Å; E96-E100 WeakPolarHBondContact O-CG 3.34Å; E96-E100 PolarHBondContact O-N 3.36Å
97	E	95.5	Very high	93.9	Very high	97 Å²	97	46.2 Å²	46.2	45%	0.453	24%	0.243	S	C	.	.	H	α-helix	trans	-57.1	-42.6	178.3	-68.2	176.7	-172.2	0	0	113	K8 E93 E94 A101	K8-E97 HydrophobicContact CD-CB 4.43Å; K8-E97 IonicContact NZ-OE2 3.09Å; K8-E97 PolarHBondContact NZ-OE2 3.09Å; E93-E97 WeakPolarHBondContact O-CG 3.29Å; E93-E97 PolarHBondContact O-N 2.91Å; E94-E97 PolarHBondContact O-N 3.41Å; E97-A101 WeakPolarHBondContact O-CB 3.45Å; E97-A101 PolarHBondContact O-N 3.01Å; E97-A101 VanDerWaalsContact O-N 3.1Å
98	W	95.8	Very high	93.7	Very high	5 Å²	5	50.2 Å²	50.2	2%	0.019	26%	0.258	C	S	.	.	H	α-helix	trans	-67.4	-47.6	177.3	-85.4	113.4	0	0	0	112.1	K8 V12 F27 L29 F35 F72 E94 R95 E96 A101 I102	K8-W98 HydrophobicContact CB-CE3 4.38Å; K8-W98 HydrophobicContact CB-CH2 4.36Å; K8-W98 HydrophobicContact CB-CZ3 3.92Å; K8-W98 HydrophobicContact CD-CD2 3.74Å; K8-W98 HydrophobicContact CD-CE3 3.65Å; K8-W98 HydrophobicContact CD-CG 4.23Å; K8-W98 HydrophobicContact CD-CH2 4.39Å; K8-W98 HydrophobicContact CD-CZ2 4.48Å; K8-W98 HydrophobicContact CD-CZ3 3.95Å; K8-W98 HydrophobicContact CG-CD2 4.35Å; K8-W98 HydrophobicContact CG-CE3 4.03Å; K8-W98 HydrophobicContact CG-CH2 3.94Å; K8-W98 HydrophobicContact CG-CZ2 4.27Å; K8-W98 HydrophobicContact CG-CZ3 3.77Å; V12-W98 HydrophobicContact CG2-CD2 4.28Å; V12-W98 HydrophobicContact CG2-CZ2 3.69Å; F27-W98 HydrophobicContact CB-CH2 3.96Å; F27-W98 HydrophobicContact CB-CZ2 4.38Å; L29-W98 HydrophobicContact CB-CZ3 4.08Å; F35-W98 HydrophobicContact CD2-CZ3 4.48Å; F35-W98 AromaticContact CE2-CE3 3.97Å; F35-W98 HydrophobicContact CE2-CE3 3.97Å; F35-W98 HydrophobicContact CE2-CH2 4.13Å; F35-W98 AromaticContact CE2-CZ3 3.53Å; F35-W98 HydrophobicContact CE2-CZ3 3.53Å; F35-W98 HydrophobicContact CZ-CE3 4.38Å; F35-W98 HydrophobicContact CZ-CZ3 4.27Å; F72-W98 HydrophobicContact CE1-CB 4.26Å; F72-W98 HydrophobicContact CZ-CB 4.04Å; F72-W98 HydrophobicContact CZ-CG 4.3Å; E94-W98 WeakPolarHBondContact O-CB 3.4Å; E94-W98 PolarHBondContact O-N 3.06Å; R95-W98 PolarHBondContact O-N 3.38Å; E96-W98 VanDerWaalsContact C-N 3.33Å; E96-W98 PolarHBondContact O-N 2.92Å; W98-A101 PolarHBondContact O-N 3.03Å; W98-I102 WeakPolarHBondContact O-CB 3.29Å; W98-I102 WeakPolarHBondContact O-CD1 3.5Å; W98-I102 WeakPolarHBondContact O-CG1 3.38Å; W98-I102 PolarHBondContact O-N 3.14Å
99	T	94.7	Very high	93.5	Very high	4 Å²	4	50.9 Å²	50.9	3%	0.025	26%	0.262	C	S	.	.	H	α-helix	trans	-67.4	-39.9	-177.7	54.9	0	0	0	0	112.3	L61 K63 F72 R95 E96 I102 Q103	L61-T99 WeakPolarHBondContact CD1-O 3.47Å; L61-T99 HydrophobicContact CD2-CG2 4.49Å; K63-T99 WeakPolarHBondContact CE-OG1 3.27Å; K63-T99 HydrophobicContact CG-CG2 4.33Å; K63-T99 PolarHBondContact NZ-OG1 2.95Å; F72-T99 HydrophobicContact CB-CG2 3.73Å; F72-T99 HydrophobicContact CD2-CG2 4.17Å; F72-T99 HydrophobicContact CG-CG2 3.97Å; R95-T99 HydrophobicContact CG-CG2 4.3Å; R95-T99 WeakPolarHBondContact O-CB 3.18Å; R95-T99 VanDerWaalsContact O-CG2 3.3Å; R95-T99 WeakPolarHBondContact O-CG2 3.27Å; R95-T99 PolarHBondContact O-N 3.18Å; R95-T99 PolarHBondContact O-OG1 3.22Å; E96-T99 PolarHBondContact O-N 3.17Å; E96-T99 PolarHBondContact O-OG1 3.48Å; E96-T99 VanDerWaalsContact O-OG1 3.09Å; T99-I102 PolarHBondContact O-N 3.46Å; T99-Q103 VanDerWaalsContact O-CB 3.3Å; T99-Q103 WeakPolarHBondContact O-CB 3.35Å; T99-Q103 PolarHBondContact O-N 3.31Å
100	E	95.2	Very high	93	Very high	119 Å²	119	55.5 Å²	55.5	56%	0.556	28%	0.283	S	S	*	.	H	α-helix	trans	-64	-45.2	174.2	-72.9	-176	170.4	0	0	111.8	E96 I102 Q103 A104	E96-E100 HydrophobicContact CG-CG 4.34Å; E96-E100 WeakPolarHBondContact O-CB 3.38Å; E96-E100 WeakPolarHBondContact O-CG 3.34Å; E96-E100 PolarHBondContact O-N 3.36Å; E100-I102 PolarHBondContact O-N 3.44Å; E100-Q103 PolarHBondContact O-N 2.94Å; E100-A104 VanDerWaalsContact O-CB 3.31Å; E100-A104 WeakPolarHBondContact O-CB 3.38Å; E100-A104 PolarHBondContact O-N 3.38Å
101	A	94.4	Very high	92.6	Very high	17 Å²	17	56.7 Å²	56.7	14%	0.14	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-43.6	178.5	0	0	0	0	0	111.9	V7 K8 L29 E97 W98 V105	V7-A101 HydrophobicContact CG1-CB 4.37Å; K8-A101 HydrophobicContact CB-CB 4.17Å; K8-A101 HydrophobicContact CD-CB 4Å; L29-A101 HydrophobicContact CD2-CB 3.83Å; E97-A101 WeakPolarHBondContact O-CB 3.45Å; E97-A101 PolarHBondContact O-N 3.01Å; E97-A101 VanDerWaalsContact O-N 3.1Å; W98-A101 PolarHBondContact O-N 3.03Å; A101-V105 WeakPolarHBondContact O-CG2 2.94Å; A101-V105 PolarHBondContact O-N 2.9Å; A101-V105 VanDerWaalsContact O-N 3.17Å
102	I	93.7	Very high	92.1	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.9	-46.1	177.8	-67	162.7	0	0	0	110.4	L29 F35 V56 L61 F72 I74 W98 T99 E100 A104 V105 A106	L29-I102 HydrophobicContact CD1-CG1 4.4Å; L29-I102 HydrophobicContact CD2-CG1 3.94Å; F35-I102 HydrophobicContact CZ-CD1 4.42Å; V56-I102 HydrophobicContact CB-CG2 3.84Å; V56-I102 HydrophobicContact CG1-CG2 3.86Å; V56-I102 HydrophobicContact CG2-CG2 4.16Å; L61-I102 HydrophobicContact CD1-CB 3.96Å; L61-I102 HydrophobicContact CD1-CG2 3.85Å; L61-I102 HydrophobicContact CD2-CB 4.47Å; L61-I102 HydrophobicContact CD2-CD1 4.43Å; L61-I102 HydrophobicContact CD2-CG2 4.04Å; L61-I102 HydrophobicContact CG-CG2 4.22Å; F72-I102 HydrophobicContact CE2-CD1 4.09Å; I74-I102 HydrophobicContact CD1-CD1 3.74Å; I74-I102 HydrophobicContact CG1-CD1 4.45Å; W98-I102 WeakPolarHBondContact O-CB 3.29Å; W98-I102 WeakPolarHBondContact O-CD1 3.5Å; W98-I102 WeakPolarHBondContact O-CG1 3.38Å; W98-I102 PolarHBondContact O-N 3.14Å; T99-I102 PolarHBondContact O-N 3.46Å; E100-I102 PolarHBondContact O-N 3.44Å; I102-A104 VanDerWaalsContact C-N 3.35Å; I102-A104 PolarHBondContact O-N 3.28Å; I102-V105 PolarHBondContact O-N 3.27Å; I102-A106 PolarHBondContact O-N 3.04Å
103	Q	93	Very high	91.3	Very high	71 Å²	71	60.1 Å²	60.1	33%	0.332	29%	0.286	S	S	.	.	H	α-helix	trans	-61	-44.2	178.7	-168.2	63.6	57.3	0	0	111.3	L61 T99 E100 V105 A106 D107	L61-Q103 HydrophobicContact CD1-CB 3.96Å; T99-Q103 VanDerWaalsContact O-CB 3.3Å; T99-Q103 WeakPolarHBondContact O-CB 3.35Å; T99-Q103 PolarHBondContact O-N 3.31Å; E100-Q103 PolarHBondContact O-N 2.94Å; Q103-V105 VanDerWaalsContact C-N 3.3Å; Q103-V105 PolarHBondContact O-N 2.88Å; Q103-A106 PolarHBondContact O-N 3.02Å; Q103-D107 PolarHBondContact NE2-OD1 3.01Å; Q103-D107 WeakPolarHBondContact O-CB 3.44Å; Q103-D107 PolarHBondContact O-N 3.49Å
104	A	92.8	Very high	90.3	Very high	57 Å²	57	59.2 Å²	59.2	47%	0.471	28%	0.282	S	S	.	.	H	α-helix	trans	-61.3	-37.5	178.6	0	0	0	0	0	112.8	E100 I102 R108	E100-A104 VanDerWaalsContact O-CB 3.31Å; E100-A104 WeakPolarHBondContact O-CB 3.38Å; E100-A104 PolarHBondContact O-N 3.38Å; I102-A104 VanDerWaalsContact C-N 3.35Å; I102-A104 PolarHBondContact O-N 3.28Å; A104-R108 WeakPolarHBondContact O-CB 3.44Å; A104-R108 PolarHBondContact O-N 2.75Å; A104-R108 VanDerWaalsContact O-N 3.15Å
105	V	92.1	Very high	89.4	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.018	30%	0.296	C	S	.	.	H	α-helix	trans	-69.8	-45.1	175.2	173.7	0	0	0	0	111.1	V7 L29 V56 A101 I102 Q103 R108 L109	V7-V105 HydrophobicContact CB-CG2 4.29Å; V7-V105 HydrophobicContact CG1-CG2 4.07Å; V7-V105 HydrophobicContact CG2-CG2 3.83Å; L29-V105 HydrophobicContact CD1-CG2 4.49Å; L29-V105 HydrophobicContact CD2-CG2 3.98Å; L29-V105 HydrophobicContact CG-CG2 4.24Å; V56-V105 HydrophobicContact CG2-CG1 4.15Å; A101-V105 WeakPolarHBondContact O-CG2 2.94Å; A101-V105 PolarHBondContact O-N 2.9Å; A101-V105 VanDerWaalsContact O-N 3.17Å; I102-V105 PolarHBondContact O-N 3.27Å; Q103-V105 VanDerWaalsContact C-N 3.3Å; Q103-V105 PolarHBondContact O-N 2.88Å; V105-R108 PolarHBondContact O-N 3Å; V105-L109 HydrophobicContact CG1-CD1 3.9Å; V105-L109 WeakPolarHBondContact O-CG 3.46Å; V105-L109 PolarHBondContact O-N 3.42Å
106	A	90.3	Very high	88.1	Confident	4 Å²	4	70.2 Å²	70.2	3%	0.033	33%	0.326	C	S	.	.	H	α-helix	trans	-58.8	-50.1	177.1	0	0	0	0	0	111.6	V56 I102 Q103 R108 L109 Q110	V56-A106 WeakPolarHBondContact O-CB 3.48Å; I102-A106 PolarHBondContact O-N 3.04Å; Q103-A106 PolarHBondContact O-N 3.02Å; A106-R108 VanDerWaalsContact C-N 3.27Å; A106-R108 PolarHBondContact O-N 3.08Å; A106-L109 PolarHBondContact O-N 3.37Å; A106-L109 VanDerWaalsContact O-N 3.16Å; A106-Q110 PolarHBondContact O-N 3.03Å
107	D	91.5	Very high	86.2	Confident	64 Å²	64	74 Å²	74	34%	0.342	35%	0.345	S	S	.	.	H	α-helix	trans	-63.1	-33.4	179.7	-66.2	-12.2	0	0	0	112.4	Q103 R111	Q103-D107 PolarHBondContact NE2-OD1 3.01Å; Q103-D107 WeakPolarHBondContact O-CB 3.44Å; Q103-D107 PolarHBondContact O-N 3.49Å; D107-R111 WeakPolarHBondContact O-CG 3.28Å; D107-R111 PolarHBondContact O-N 2.78Å; D107-R111 PolarHBondContact O-NE 3.37Å
108	R	90.2	Very high	84.2	Confident	84 Å²	84	76.6 Å²	76.6	32%	0.317	36%	0.363	S	S	.	.	H	α-helix	trans	-69.1	-44.2	175.4	-174.9	178.2	65.6	-163.1	-10.2	111.3	T31 A104 V105 A106 R111 Q112	T31-R108 VanDerWaalsContact C-NH2 3.29Å; T31-R108 VanDerWaalsContact CG2-NH2 3.33Å; T31-R108 PolarHBondContact O-NH2 3.39Å; A104-R108 WeakPolarHBondContact O-CB 3.44Å; A104-R108 PolarHBondContact O-N 2.75Å; A104-R108 VanDerWaalsContact O-N 3.15Å; V105-R108 PolarHBondContact O-N 3Å; A106-R108 VanDerWaalsContact C-N 3.27Å; A106-R108 PolarHBondContact O-N 3.08Å; R108-R111 PolarHBondContact O-N 2.95Å; R108-Q112 WeakPolarHBondContact O-CG 3.45Å; R108-Q112 PolarHBondContact O-N 3.37Å; R108-Q112 VanDerWaalsContact O-N 3.09Å
109	L	88.1	Confident	81.3	Confident	30 Å²	30	81.4 Å²	81.4	16%	0.157	40%	0.396	C	S	.	.	H	α-helix	trans	-67.7	-39.5	-179.6	-69.8	168.2	0	0	0	111.4	D32 A57 V105 A106 Q112 E113	D32-L109 WeakPolarHBondContact O-CD1 3.4Å; A57-L109 HydrophobicContact CB-CB 4.35Å; A57-L109 HydrophobicContact CB-CD1 3.72Å; V105-L109 HydrophobicContact CG1-CD1 3.9Å; V105-L109 WeakPolarHBondContact O-CG 3.46Å; V105-L109 PolarHBondContact O-N 3.42Å; A106-L109 PolarHBondContact O-N 3.37Å; A106-L109 VanDerWaalsContact O-N 3.16Å; L109-Q112 PolarHBondContact O-N 2.82Å; L109-E113 PolarHBondContact O-N 3.15Å
110	Q	85.4	Confident	78.4	Confident	100 Å²	100	85.5 Å²	85.5	47%	0.467	43%	0.425	S	S	.	.	H	α-helix	trans	-59.9	-46.5	174.3	-175.9	176.8	-11.8	0	0	111.6	A106 Q112 E113 E114	A106-Q110 PolarHBondContact O-N 3.03Å; Q110-Q112 VanDerWaalsContact C-N 3.34Å; Q110-Q112 PolarHBondContact O-N 3.03Å; Q110-E113 PolarHBondContact O-N 3.02Å; Q110-E113 VanDerWaalsContact O-N 3.15Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.43Å; Q110-E114 PolarHBondContact NE2-OE1 2.98Å; Q110-E114 WeakPolarHBondContact O-CG 3.37Å; Q110-E114 PolarHBondContact O-N 3.4Å
111	R	85.8	Confident	75.7	Confident	146 Å²	146	85 Å²	85	55%	0.551	43%	0.432	S	S	*	.	H	α-helix	trans	-60.4	-40.5	175.8	-77.6	-177.3	-72.9	163.3	-7.1	112.9	D107 R108 E113 E114 E115	D107-R111 WeakPolarHBondContact O-CG 3.28Å; D107-R111 PolarHBondContact O-N 2.78Å; D107-R111 PolarHBondContact O-NE 3.37Å; R108-R111 PolarHBondContact O-N 2.95Å; R111-E113 VanDerWaalsContact C-N 3.3Å; R111-E113 PolarHBondContact O-N 3.45Å; R111-E114 PolarHBondContact O-N 3.27Å; R111-E115 WeakPolarHBondContact O-CB 3.39Å; R111-E115 VanDerWaalsContact O-CG 3.3Å; R111-E115 WeakPolarHBondContact O-CG 3.47Å; R111-E115 PolarHBondContact O-N 3.39Å
112	Q	82.7	Confident	72.7	Confident	84 Å²	84	91.2 Å²	91.2	39%	0.393	47%	0.468	S	S	.	.	H	α-helix	trans	-65.5	-33.6	176.5	-73.4	178.5	-6	0	0	112.6	R108 L109 Q110 R116	R108-Q112 WeakPolarHBondContact O-CG 3.45Å; R108-Q112 PolarHBondContact O-N 3.37Å; R108-Q112 VanDerWaalsContact O-N 3.09Å; L109-Q112 PolarHBondContact O-N 2.82Å; Q110-Q112 VanDerWaalsContact C-N 3.34Å; Q110-Q112 PolarHBondContact O-N 3.03Å; Q112-R116 WeakPolarHBondContact O-CB 3.15Å; Q112-R116 WeakPolarHBondContact O-CG 3.4Å; Q112-R116 PolarHBondContact O-N 3.14Å; Q112-R116 VanDerWaalsContact O-N 3.12Å
113	E	76.5	Confident	69.7	Low	92 Å²	92	96 Å²	96	43%	0.43	50%	0.502	S	S	.	.	H	α-helix	trans	-70.6	-44.2	175.3	-161.3	174.3	-175.3	0	0	110.7	K58 L109 Q110 R111 R116 M117	K58-E113 WeakPolarHBondContact CE-OE2 3.23Å; K58-E113 VanDerWaalsContact NZ-CD 3.32Å; K58-E113 IonicContact NZ-OE1 2.73Å; K58-E113 PolarHBondContact NZ-OE1 3.43Å; K58-E113 IonicContact NZ-OE2 3.15Å; K58-E113 PolarHBondContact NZ-OE2 3.2Å; L109-E113 PolarHBondContact O-N 3.15Å; Q110-E113 PolarHBondContact O-N 3.02Å; Q110-E113 VanDerWaalsContact O-N 3.15Å; R111-E113 VanDerWaalsContact C-N 3.3Å; R111-E113 PolarHBondContact O-N 3.45Å; E113-R116 PolarHBondContact O-N 3.09Å; E113-M117 VanDerWaalsContact O-CG 3.25Å; E113-M117 WeakPolarHBondContact O-CG 3.26Å; E113-M117 PolarHBondContact O-N 3.36Å
114	E	74.1	Confident	66.7	Low	100 Å²	100	101.2 Å²	101.2	47%	0.467	53%	0.526	S	S	.	.	H	α-helix	trans	-63	-41.2	175.3	-71	172.5	-172.1	0	0	112.4	Q110 R111 M117 N118	Q110-E114 WeakPolarHBondContact CG-OE1 3.43Å; Q110-E114 PolarHBondContact NE2-OE1 2.98Å; Q110-E114 WeakPolarHBondContact O-CG 3.37Å; Q110-E114 PolarHBondContact O-N 3.4Å; R111-E114 PolarHBondContact O-N 3.27Å; E114-M117 PolarHBondContact O-N 2.86Å; E114-N118 WeakPolarHBondContact O-CB 3.41Å; E114-N118 PolarHBondContact O-N 2.86Å
115	E	74.1	Confident	63.7	Low	130 Å²	130	106.2 Å²	106.2	61%	0.607	54%	0.543	S	S	*	.	H	α-helix	trans	-64.7	-40.4	175.1	-76.7	174.1	-177	0	0	112	R111 M117 N118 C119	R111-E115 WeakPolarHBondContact O-CB 3.39Å; R111-E115 VanDerWaalsContact O-CG 3.3Å; R111-E115 WeakPolarHBondContact O-CG 3.47Å; R111-E115 PolarHBondContact O-N 3.39Å; E115-M117 VanDerWaalsContact C-N 3.33Å; E115-N118 PolarHBondContact O-N 3.47Å; E115-C119 WeakPolarHBondContact O-CB 3.07Å; E115-C119 PolarHBondContact O-N 3.04Å
116	R	68.8	Low	60.6	Low	198 Å²	198	112.4 Å²	112.4	75%	0.747	58%	0.576	S	S	*	*	H	α-helix	trans	-65.5	-37.2	174.6	-79.2	-177.8	-172.1	-153.5	5	112.4	Q112 E113 S120	Q112-R116 WeakPolarHBondContact O-CB 3.15Å; Q112-R116 WeakPolarHBondContact O-CG 3.4Å; Q112-R116 PolarHBondContact O-N 3.14Å; Q112-R116 VanDerWaalsContact O-N 3.12Å; E113-R116 PolarHBondContact O-N 3.09Å; R116-S120 PolarHBondContact O-OG 3.4Å
117	M	55.8	Low	57.6	Low	148 Å²	148	120.3 Å²	120.3	73%	0.729	62%	0.618	S	S	*	*	H	α-helix	trans	-68.5	-36.9	176.1	-70	-69.9	-74.7	0	0	111.6	E113 E114 E115	E113-M117 VanDerWaalsContact O-CG 3.25Å; E113-M117 WeakPolarHBondContact O-CG 3.26Å; E113-M117 PolarHBondContact O-N 3.36Å; E114-M117 PolarHBondContact O-N 2.86Å; E115-M117 VanDerWaalsContact C-N 3.33Å
118	N	53.1	Low	54.6	Low	152 Å²	152	125 Å²	125	81%	0.813	64%	0.642	S	S	*	*	H	α-helix	trans	-77.4	-20.4	177.3	-87.6	-8.3	0	0	0	114.5	E114 E115	E114-N118 WeakPolarHBondContact O-CB 3.41Å; E114-N118 PolarHBondContact O-N 2.86Å; E115-N118 PolarHBondContact O-N 3.47Å
119	C	35.5	Very low	51.6	Low	107 Å²	107	124 Å²	124	72%	0.723	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	23.5	-179	-117.1	0	0	0	0	114.6	E115 P121	E115-C119 WeakPolarHBondContact O-CB 3.07Å; E115-C119 PolarHBondContact O-N 3.04Å; C119-P121 VanDerWaalsContact C-CD 3.49Å; C119-P121 WeakPolarHBondContact O-CD 3.39Å
120	S	33.3	Very low	48.7	Very low	90 Å²	90	131.8 Å²	131.8	63%	0.629	69%	0.692	S	S	*	*			trans	-98.6	90.1	172.7	-63.6	0	0	0	0	110.6	R116 T122	R116-S120 PolarHBondContact O-OG 3.4Å; S120-T122 PolarHBondContact O-N 2.88Å
121	P	38.1	Very low	45.8	Very low	108 Å²	108	136 Å²	136	70%	0.701	71%	0.712	S	S	*	*			trans	-66.8	121.9	163.7	27.8	-29.1	0	0	0	107.6	C119 S123	C119-P121 VanDerWaalsContact C-CD 3.49Å; C119-P121 WeakPolarHBondContact O-CD 3.39Å; P121-S123 VanDerWaalsContact C-N 3.33Å; P121-S123 PolarHBondContact O-N 2.78Å
122	T	32	Very low	43	Very low	148 Å²	148	138.2 Å²	138.2	91%	0.908	73%	0.729	S	S	*	*			trans	-44	90.1	171.2	22.5	0	0	0	0	111	S120	S120-T122 PolarHBondContact O-N 2.88Å
123	S	31.4	Very low	40.4	Very low	101 Å²	101	143 Å²	143	71%	0.706	75%	0.754	S	S	*	*			trans	-91.9	111.9	167.3	31.4	0	0	0	0	107.2	P121 I125	P121-S123 VanDerWaalsContact C-N 3.33Å; P121-S123 PolarHBondContact O-N 2.78Å; S123-I125 PolarHBondContact O-N 2.9Å
124	Q	28.3	Very low	37.9	Very low	179 Å²	179	145 Å²	145	84%	0.836	77%	0.767	S	S	*	*			trans	-46.5	119.1	171.2	-65.8	163.4	-19.9	0	0	109.4
125	I	30.3	Very low	35.7	Very low	162 Å²	162	144.8 Å²	144.8	83%	0.831	78%	0.782	S	S	*	*			trans	-113.1	108.8	161.5	-63.9	177.9	0	0	0	105.2	S123	S123-I125 PolarHBondContact O-N 2.9Å
126	D	28.2	Very low	33.5	Very low	134 Å²	134	143.2 Å²	143.2	72%	0.717	79%	0.785	S	S	*	*			trans	-56.5	143.6	-178.9	-72.6	-50.9	0	0	0	112.4	I128	D126-I128 PolarHBondContact O-N 2.84Å
127	N	27.2	Very low	31.6	Very low	170 Å²	170	139.7 Å²	139.7	91%	0.909	79%	0.786	S	S	*	*			trans	-45.1	104.9	165.2	-90.1	-29.5	0	0	0	111
128	I	28	Very low	30.4	Very low	163 Å²	163	138 Å²	138	84%	0.836	78%	0.784	S	S	*	*			trans	-97.1	118.1	158.6	-64.7	177.2	0	0	0	106.5	D126	D126-I128 PolarHBondContact O-N 2.84Å
129	G	27.4	Very low	29.3	Very low	62 Å²	62	140.1 Å²	140.1	64%	0.639	79%	0.789	S	S	*	*			trans	-52.1	141.2	-170	0	0	0	0	0	113.9	E131	G129-E131 PolarHBondContact O-N 2.75Å
130	E	26.4	Very low	29.9	Very low	193 Å²	193	141.3 Å²	141.3	90%	0.902	78%	0.784	S	S	*	*			trans	-60.9	98.5	163.7	-62.5	176.3	161.9	0	0	107.6	E132	E130-E132 PolarHBondContact O-N 3.01Å; E130-E132 VanDerWaalsContact O-N 3.09Å
131	E	25.1	Very low	31	Very low	189 Å²	189	146.4 Å²	146.4	88%	0.883	80%	0.795	S	S	*	*			trans	-64.8	106.8	163.6	-76	-175.5	161.1	0	0	107.4	G129 M133	G129-E131 PolarHBondContact O-N 2.75Å; E131-M133 VanDerWaalsContact C-N 3.3Å; E131-M133 PolarHBondContact O-N 3.33Å
132	E	26.1	Very low	32.8	Very low	193 Å²	193	150.5 Å²	150.5	90%	0.902	80%	0.796	S	S	*	*			trans	-54.5	96	165.3	-74.9	-176.5	143.6	0	0	108.4	E130 D134	E130-E132 PolarHBondContact O-N 3.01Å; E130-E132 VanDerWaalsContact O-N 3.09Å; E132-D134 PolarHBondContact O-N 3.14Å
133	M	27.8	Very low	35.3	Very low	185 Å²	185	145.6 Å²	145.6	91%	0.911	76%	0.762	S	S	*	*			trans	-70.8	103.5	176.3	-162.9	173.7	69.2	0	0	108.5	E131 A135	E131-M133 VanDerWaalsContact C-N 3.3Å; E131-M133 PolarHBondContact O-N 3.33Å; M133-A135 PolarHBondContact O-N 3.27Å
134	D	25.4	Very low	37.9	Very low	134 Å²	134	143.4 Å²	143.4	72%	0.717	74%	0.744	S	S	*	*			trans	-36.8	121.3	-179.5	-156.4	-10.7	0	0	0	113.3	E132 S136	E132-D134 PolarHBondContact O-N 3.14Å; D134-S136 PolarHBondContact O-N 3.47Å
135	A	27.4	Very low	40.4	Very low	94 Å²	94	136 Å²	136	78%	0.777	71%	0.71	S	S	*	*			trans	-73.1	63.9	-179.1	0	0	0	0	0	111.1	M133 T137	M133-A135 PolarHBondContact O-N 3.27Å; A135-T137 PolarHBondContact O-N 2.97Å
136	S	27	Very low	43.1	Very low	97 Å²	97	134.3 Å²	134.3	68%	0.678	70%	0.703	S	S	*	*			trans	-94.1	59	174.6	-66.9	0	0	0	0	111.2	D134	D134-S136 PolarHBondContact O-N 3.47Å
137	T	30.3	Very low	46.1	Very low	125 Å²	125	130.5 Å²	130.5	77%	0.767	68%	0.682	S	S	*	*			trans	-122.2	99.2	165.2	31.7	0	0	0	0	109.8	A135 H139	A135-T137 PolarHBondContact O-N 2.97Å; T137-H139 PolarHBondContact O-N 2.91Å
138	T	28.8	Very low	49.1	Very low	112 Å²	112	122.5 Å²	122.5	69%	0.687	64%	0.64	S	S	*	*			trans	-13.5	120	162.9	45.2	0	0	0	0	113.7	H140	T138-H140 PolarHBondContact O-N 2.87Å
139	H	30.7	Very low	51.9	Low	197 Å²	197	116.9 Å²	116.9	91%	0.912	61%	0.611	S	S	*	*			trans	-52.7	65.2	-179.7	-72.5	-75.2	0	0	0	115.2	T137 K141	T137-H139 PolarHBondContact O-N 2.91Å; H139-K141 PolarHBondContact O-N 2.91Å; H139-K141 VanDerWaalsContact O-N 3.15Å
140	H	48	Very low	54.9	Low	131 Å²	131	116.9 Å²	116.9	61%	0.606	59%	0.592	S	S	*	*			trans	-70.2	107.9	157.9	-69.3	-52.8	0	0	0	106.5	T138 R142	T138-H140 PolarHBondContact O-N 2.87Å; H140-R142 PolarHBondContact O-N 2.83Å
141	K	56.7	Low	57.8	Low	198 Å²	198	110.9 Å²	110.9	86%	0.861	57%	0.566	S	S	*	*			trans	-45	117.7	173	-88	-176.5	175.2	179.1	0	108.7	H139 K143	H139-K141 PolarHBondContact O-N 2.91Å; H139-K141 VanDerWaalsContact O-N 3.15Å; K141-K143 PolarHBondContact O-N 3.04Å
142	R	76.6	Confident	60.8	Low	193 Å²	193	105.6 Å²	105.6	73%	0.728	54%	0.54	S	S	*	.			trans	-55.7	120.6	179.7	-170.6	173.3	74.4	172.4	3.1	109	H140	H140-R142 PolarHBondContact O-N 2.83Å
143	K	83.1	Confident	63.7	Low	45 Å²	45	96.6 Å²	96.6	20%	0.196	50%	0.498	C	S	.	.			trans	-66.2	146.5	178.4	-68.1	-62.8	-167.2	170.7	0	111.2	K141 D147 E167 Y213 F215	K141-K143 PolarHBondContact O-N 3.04Å; K143-D147 HydrophobicContact CD-CB 4.36Å; K143-E167 VanDerWaalsContact CE-OE1 3.32Å; K143-E167 WeakPolarHBondContact CE-OE1 3.18Å; K143-E167 IonicContact NZ-OE1 2.65Å; K143-E167 PolarHBondContact NZ-OE1 2.9Å; K143-Y213 HydrophobicContact CG-CD1 3.88Å; K143-Y213 HydrophobicContact CG-CD2 4.46Å; K143-Y213 HydrophobicContact CG-CE1 4.13Å; K143-Y213 HydrophobicContact CG-CG 4.08Å; K143-F215 HydrophobicContact CB-CD1 4.03Å; K143-F215 HydrophobicContact CB-CE1 4.38Å; K143-F215 WeakPolarHBondContact O-CG 3.37Å
144	T	86.9	Confident	66.4	Low	55 Å²	55	88.3 Å²	88.3	34%	0.337	46%	0.458	S	S	.	.			trans	-137.9	168.1	-178.9	68.5	0	0	0	0	110.7	N146 D147 F148	T144-N146 PolarHBondContact O-N 3.31Å; T144-N146 VanDerWaalsContact O-N 3.12Å; T144-N146 PolarHBondContact OG1-N 2.85Å; T144-D147 PolarHBondContact N-OD2 3.29Å; T144-D147 WeakPolarHBondContact O-CB 3.29Å; T144-D147 PolarHBondContact O-N 3.5Å; T144-D147 VanDerWaalsContact O-N 3.13Å; T144-D147 PolarHBondContact OG1-OD2 3.13Å; T144-F148 VanDerWaalsContact O-CD2 3.28Å; T144-F148 WeakPolarHBondContact O-CD2 3.43Å; T144-F148 WeakPolarHBondContact O-CE2 3.45Å
145	M	81.5	Confident	69.1	Low	23 Å²	23	82.7 Å²	82.7	11%	0.113	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-54.7	-27.7	172.6	-68.3	-60.1	-84.2	0	0	113.3	D147 Y150 M176 I178 F215 T217 C222 I446	M145-D147 VanDerWaalsContact C-N 3.29Å; M145-D147 PolarHBondContact O-N 3.1Å; M145-Y150 VanDerWaalsContact CA-OH 3.29Å; M145-Y150 WeakPolarHBondContact CA-OH 3.49Å; M145-Y150 VanDerWaalsContact CB-OH 3.24Å; M145-Y150 WeakPolarHBondContact CB-OH 3.33Å; M145-Y150 HydrophobicContact CE-CE1 3.76Å; M145-Y150 WeakPolarHBondContact CE-OH 3.42Å; M145-Y150 PolarHBondContact O-OH 3.28Å; M145-Y150 PolarHBondContact SD-OH 2.99Å; M145-Y150 VanDerWaalsContact SD-OH 3.36Å; M145-M176 HydrophobicContact CE-SD 3.91Å; M145-M176 HydrophobicContact SD-CE 4.28Å; M145-M176 HydrophobicContact SD-SD 3.59Å; M145-I178 HydrophobicContact CE-CD1 3.57Å; M145-I178 HydrophobicContact CE-CG1 4.16Å; M145-F215 HydrophobicContact CG-CE2 3.84Å; M145-F215 HydrophobicContact CG-CZ 4.46Å; M145-F215 HydrophobicContact SD-CE2 3.63Å; M145-F215 HydrophobicContact SD-CZ 3.86Å; M145-T217 HydrophobicContact CG-CG2 3.76Å; M145-C222 HydrophobicContact SD-CB 4.33Å; M145-C222 PolarHBondContact SD-SG 2.69Å; M145-I446 HydrophobicContact CE-CD1 3.96Å
146	N	87	Confident	71.6	Confident	128 Å²	128	85 Å²	85	68%	0.684	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-77.7	-13.7	-176.8	-68.4	-21.1	0	0	0	113.4	T144 F148 K168	T144-N146 PolarHBondContact O-N 3.31Å; T144-N146 VanDerWaalsContact O-N 3.12Å; T144-N146 PolarHBondContact OG1-N 2.85Å; N146-F148 PolarHBondContact O-N 3.43Å; N146-K168 WeakPolarHBondContact O-CD 3.31Å; N146-K168 WeakPolarHBondContact O-CE 3.49Å; N146-K168 PolarHBondContact O-NZ 3.38Å
147	D	89.9	Confident	73.7	Confident	53 Å²	53	82.7 Å²	82.7	28%	0.283	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-78.9	-1	178.9	-61.9	-60.7	0	0	0	112.9	K143 T144 M145 K168	K143-D147 HydrophobicContact CD-CB 4.36Å; T144-D147 PolarHBondContact N-OD2 3.29Å; T144-D147 WeakPolarHBondContact O-CB 3.29Å; T144-D147 PolarHBondContact O-N 3.5Å; T144-D147 VanDerWaalsContact O-N 3.13Å; T144-D147 PolarHBondContact OG1-OD2 3.13Å; M145-D147 VanDerWaalsContact C-N 3.29Å; M145-D147 PolarHBondContact O-N 3.1Å; D147-K168 WeakPolarHBondContact O-CB 3.42Å; D147-K168 WeakPolarHBondContact O-CG 3.45Å; D147-K168 PolarHBondContact O-N 3.23Å
148	F	90.2	Very high	75.6	Confident	3 Å²	3	81.5 Å²	81.5	1%	0.013	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	142	-172.9	-59.6	-87	0	0	0	111.8	T144 N146 V165 R166 E167 Y174 M176 Y213 F215 V224	T144-F148 VanDerWaalsContact O-CD2 3.28Å; T144-F148 WeakPolarHBondContact O-CD2 3.43Å; T144-F148 WeakPolarHBondContact O-CE2 3.45Å; N146-F148 PolarHBondContact O-N 3.43Å; F148-V165 HydrophobicContact CB-CB 4.11Å; F148-V165 HydrophobicContact CB-CG1 4.5Å; F148-V165 HydrophobicContact CB-CG2 4.48Å; F148-V165 HydrophobicContact CD1-CB 4.32Å; F148-V165 HydrophobicContact CD1-CG2 3.83Å; F148-V165 HydrophobicContact CG-CG2 4.39Å; F148-R166 CarbonylContact C-O 3.6Å; F148-R166 VanDerWaalsContact CA-O 3.31Å; F148-R166 WeakPolarHBondContact CA-O 3.49Å; F148-E167 HydrophobicContact CD1-CB 4.04Å; F148-E167 HydrophobicContact CE1-CB 3.86Å; F148-E167 HydrophobicContact CE1-CG 4.19Å; F148-Y174 HydrophobicContact CE1-CD2 4.42Å; F148-M176 HydrophobicContact CB-CE 3.95Å; F148-M176 HydrophobicContact CD1-CE 4.14Å; F148-M176 HydrophobicContact CD2-CE 3.46Å; F148-M176 VanDerWaalsContact CD2-CE 3.46Å; F148-M176 HydrophobicContact CE2-CE 3.98Å; F148-M176 HydrophobicContact CG-CE 3.57Å; F148-Y213 HydrophobicContact CE1-CD2 4.36Å; F148-Y213 HydrophobicContact CE1-CE2 4.4Å; F148-Y213 AromaticContact CZ-CD2 3.79Å; F148-Y213 HydrophobicContact CZ-CD2 3.79Å; F148-Y213 HydrophobicContact CZ-CE2 4.08Å; F148-F215 HydrophobicContact CD2-CZ 4.5Å; F148-F215 AromaticContact CE2-CE1 3.87Å; F148-F215 HydrophobicContact CE2-CE1 3.87Å; F148-F215 HydrophobicContact CE2-CZ 4.15Å; F148-V224 HydrophobicContact CE1-CG1 3.94Å; F148-V224 HydrophobicContact CE1-CG2 4.35Å; F148-V224 HydrophobicContact CE2-CG2 4.29Å; F148-V224 HydrophobicContact CZ-CG1 4.2Å; F148-V224 HydrophobicContact CZ-CG2 3.93Å
149	D	88.3	Confident	77.7	Confident	44 Å²	44	78.7 Å²	78.7	24%	0.235	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	131.7	165.2	-61.4	-40.8	0	0	0	109	L151 V165 R166 K168	D149-L151 HydrophobicContact CB-CD2 4.4Å; D149-V165 CarbonylContact O-C 3.5Å; D149-V165 WeakPolarHBondContact O-CA 3.35Å; D149-V165 WeakPolarHBondContact O-CB 3.5Å; D149-R166 HydrophobicContact CB-CB 4.36Å; D149-R166 PolarHBondContact N-O 3.5Å; D149-R166 PolarHBondContact O-N 3.45Å; D149-R166 IonicContact OD2-CZ 3.38Å; D149-R166 IonicContact OD2-NE 3.18Å; D149-R166 PolarHBondContact OD2-NE 2.83Å; D149-R166 IonicContact OD2-NH2 2.73Å; D149-R166 PolarHBondContact OD2-NH2 3.43Å; D149-K168 WeakPolarHBondContact OD1-CE 3.34Å; D149-K168 IonicContact OD1-NZ 3.38Å
150	Y	89.6	Confident	80.2	Confident	63 Å²	63	70 Å²	70	25%	0.247	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	119.4	-179	-58.2	-92.8	0	0	0	109.7	M145 I163 V165 M176 I178 I446	M145-Y150 VanDerWaalsContact CA-OH 3.29Å; M145-Y150 WeakPolarHBondContact CA-OH 3.49Å; M145-Y150 VanDerWaalsContact CB-OH 3.24Å; M145-Y150 WeakPolarHBondContact CB-OH 3.33Å; M145-Y150 HydrophobicContact CE-CE1 3.76Å; M145-Y150 WeakPolarHBondContact CE-OH 3.42Å; M145-Y150 PolarHBondContact O-OH 3.28Å; M145-Y150 PolarHBondContact SD-OH 2.99Å; M145-Y150 VanDerWaalsContact SD-OH 3.36Å; Y150-I163 HydrophobicContact CD1-CD1 4.21Å; Y150-I163 HydrophobicContact CD1-CG2 4.08Å; Y150-V165 HydrophobicContact CD1-CG1 3.74Å; Y150-V165 HydrophobicContact CE1-CG1 4.05Å; Y150-V165 HydrophobicContact CG-CG1 4.43Å; Y150-M176 HydrophobicContact CE1-CE 4.45Å; Y150-M176 HydrophobicContact CE1-SD 3.88Å; Y150-I178 HydrophobicContact CE1-CD1 4.32Å; Y150-I446 HydrophobicContact CD1-CD1 3.8Å; Y150-I446 HydrophobicContact CD2-CD1 4.38Å; Y150-I446 HydrophobicContact CE1-CD1 3.56Å; Y150-I446 HydrophobicContact CE2-CD1 4.2Å; Y150-I446 HydrophobicContact CG-CD1 4.22Å
151	L	87.9	Confident	82	Confident	67 Å²	67	66.2 Å²	66.2	35%	0.351	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	-61.5	-168	-57.4	178.2	0	0	0	112.9	D149 L164 R166 Y173 T430 I444	D149-L151 HydrophobicContact CB-CD2 4.4Å; L151-L164 HydrophobicContact CB-CD2 4.43Å; L151-L164 HydrophobicContact CB-CG 4.26Å; L151-L164 WeakPolarHBondContact CB-O 3.33Å; L151-L164 HydrophobicContact CD1-CG 4.29Å; L151-L164 PolarHBondContact N-O 3.19Å; L151-R166 HydrophobicContact CD1-CB 3.99Å; L151-Y173 HydrophobicContact CD1-CD1 3.68Å; L151-Y173 HydrophobicContact CD1-CE1 3.41Å; L151-Y173 VanDerWaalsContact CD1-CE1 3.41Å; L151-T430 HydrophobicContact CD1-CG2 4.41Å; L151-I444 WeakPolarHBondContact O-CD1 3.43Å
152	K	87.4	Confident	83.6	Confident	78 Å²	78	58.8 Å²	58.8	34%	0.339	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	143.2	-179.4	-70.5	-174	173.8	-166.1	0	112.4	L154 I163 L164 T432	K152-L154 PolarHBondContact O-N 3.06Å; K152-I163 CarbonylContact O-C 3.59Å; K152-I163 WeakPolarHBondContact O-CA 3.41Å; K152-I163 VanDerWaalsContact O-CG2 3.32Å; K152-I163 WeakPolarHBondContact O-CG2 3.37Å; K152-L164 HydrophobicContact CB-CB 4.32Å; K152-L164 PolarHBondContact N-O 2.91Å; K152-L164 PolarHBondContact O-N 2.76Å; K152-T432 HydrophobicContact CB-CG2 4.44Å; K152-T432 HydrophobicContact CD-CG2 3.53Å; K152-T432 PolarHBondContact NZ-OG1 3.13Å
153	L	86.6	Confident	84.3	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	122.4	167.9	-178.5	68.9	0	0	0	108.3	G155 K161 I163 F439 T440 Q442 I444	L153-G155 WeakPolarHBondContact CD1-O 3.19Å; L153-K161 HydrophobicContact CD1-CB 3.82Å; L153-K161 HydrophobicContact CD1-CD 4Å; L153-K161 HydrophobicContact CD1-CG 4.1Å; L153-I163 HydrophobicContact CD1-CG1 4.1Å; L153-F439 HydrophobicContact CD2-CB 4.38Å; L153-F439 HydrophobicContact CD2-CD1 4.5Å; L153-F439 HydrophobicContact CG-CB 4.29Å; L153-F439 CarbonylContact O-C 3.58Å; L153-T440 WeakPolarHBondContact O-CA 3.3Å; L153-T440 PolarHBondContact O-N 2.97Å; L153-Q442 HydrophobicContact CD2-CB 4.2Å; L153-I444 HydrophobicContact CB-CG1 4.43Å
154	L	85.1	Confident	84.7	Confident	12 Å²	12	47.6 Å²	47.6	6%	0.063	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-31.2	-179.9	-62.5	177.7	0	0	0	111.8	K152 V162 L164 A175 Y227 T432 F435	K152-L154 PolarHBondContact O-N 3.06Å; L154-V162 HydrophobicContact CB-CG1 4.33Å; L154-V162 HydrophobicContact CD1-CG1 4.37Å; L154-V162 PolarHBondContact N-O 2.88Å; L154-L164 HydrophobicContact CD1-CB 3.97Å; L154-L164 HydrophobicContact CD2-CB 4.03Å; L154-L164 HydrophobicContact CG-CB 3.96Å; L154-A175 HydrophobicContact CD1-CB 4.27Å; L154-Y227 HydrophobicContact CD1-CD2 3.81Å; L154-Y227 HydrophobicContact CD1-CE2 3.53Å; L154-Y227 HydrophobicContact CD2-CE2 4.02Å; L154-Y227 HydrophobicContact CG-CE2 4.44Å; L154-T432 HydrophobicContact CD2-CG2 4Å; L154-F435 HydrophobicContact CB-CD1 3.91Å; L154-F435 HydrophobicContact CB-CE1 3.91Å; L154-F435 HydrophobicContact CD1-CE1 4.21Å; L154-F435 HydrophobicContact CD1-CZ 4.34Å; L154-F435 HydrophobicContact CD2-CD1 3.83Å; L154-F435 HydrophobicContact CD2-CD2 4.12Å; L154-F435 HydrophobicContact CD2-CE1 3.89Å; L154-F435 HydrophobicContact CD2-CE2 4.17Å; L154-F435 HydrophobicContact CD2-CG 3.95Å; L154-F435 HydrophobicContact CD2-CZ 4.05Å; L154-F435 HydrophobicContact CG-CD1 4.39Å; L154-F435 HydrophobicContact CG-CE1 4.22Å
155	G	83.1	Confident	85.1	Confident	16 Å²	16	45 Å²	45	17%	0.165	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	163.6	179	0	0	0	0	0	112.9	L153 V162	L153-G155 WeakPolarHBondContact CD1-O 3.19Å; G155-V162 PolarHBondContact N-O 3.15Å; G155-V162 PolarHBondContact O-N 3.16Å
156	K	78	Confident	85.7	Confident	143 Å²	143	48.5 Å²	48.5	62%	0.622	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	114.6	178.2	-176.2	-176.4	175.5	-170	0	109.3	K161 F439	K156-K161 HydrophobicContact CG-CG 4.43Å; K156-F439 HydrophobicContact CB-CD1 4.47Å; K156-F439 HydrophobicContact CB-CE1 4.23Å
157	G	71.8	Confident	86	Confident	48 Å²	48	42.7 Å²	42.7	50%	0.495	23%	0.225	S	C	.	.			trans	-101.1	-178.5	177.1	0	0	0	0	0	112.5	F159 G160	G157-F159 VanDerWaalsContact C-N 3.27Å; G157-F159 PolarHBondContact O-N 3.23Å; G157-G160 PolarHBondContact N-O 3.04Å; G157-G160 PolarHBondContact O-N 3.34Å
158	T	71.1	Confident	86.2	Confident	99 Å²	99	45.7 Å²	45.7	61%	0.607	24%	0.235	S	C	*	.	S	Bend	trans	-60.8	-34.1	178.7	52.5	0	0	0	0	113.3
159	F	73.2	Confident	86.3	Confident	53 Å²	53	49.9 Å²	49.9	23%	0.232	27%	0.27	C	S	.	.	S	Bend	trans	-99.3	-12.5	-175.4	-58.9	-73.4	0	0	0	113.8	G157 L179 K180 V183 I184 K187 E189	G157-F159 VanDerWaalsContact C-N 3.27Å; G157-F159 PolarHBondContact O-N 3.23Å; F159-L179 HydrophobicContact CB-CD2 3.77Å; F159-K180 PolarHBondContact O-N 2.98Å; F159-V183 HydrophobicContact CD1-CG1 4.11Å; F159-I184 HydrophobicContact CD1-CG1 4.22Å; F159-K187 HydrophobicContact CD1-CD 4.43Å; F159-K187 HydrophobicContact CE1-CB 4.19Å; F159-K187 HydrophobicContact CE1-CD 3.71Å; F159-K187 HydrophobicContact CZ-CD 4.32Å; F159-E189 HydrophobicContact CE1-CB 3.93Å; F159-E189 HydrophobicContact CE1-CG 3.72Å; F159-E189 HydrophobicContact CZ-CB 4.16Å; F159-E189 HydrophobicContact CZ-CG 3.67Å
160	G	82.1	Confident	86.5	Confident	16 Å²	16	50.6 Å²	50.6	17%	0.165	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.2	-158.6	-168.4	0	0	0	0	0	116.8	G157 I178	G157-G160 PolarHBondContact N-O 3.04Å; G157-G160 PolarHBondContact O-N 3.34Å; G160-I178 WeakPolarHBondContact CA-O 3.44Å
161	K	85.7	Confident	86.6	Confident	51 Å²	51	49.2 Å²	49.2	22%	0.222	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146	-174.5	-64.8	-177.5	-178.5	-174.2	0	110.1	L153 K156 I163 I178 T445	L153-K161 HydrophobicContact CD1-CB 3.82Å; L153-K161 HydrophobicContact CD1-CD 4Å; L153-K161 HydrophobicContact CD1-CG 4.1Å; K156-K161 HydrophobicContact CG-CG 4.43Å; K161-I163 HydrophobicContact CB-CG1 4.29Å; K161-I178 PolarHBondContact N-O 3.35Å; K161-I178 PolarHBondContact O-N 2.96Å; K161-T445 PolarHBondContact NZ-O 3.09Å
162	V	90.5	Very high	86.9	Confident	42 Å²	42	50 Å²	50	26%	0.255	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123.3	169.7	-174.4	0	0	0	0	108	L154 G155 A175 M176 K177	L154-V162 HydrophobicContact CB-CG1 4.33Å; L154-V162 HydrophobicContact CD1-CG1 4.37Å; L154-V162 PolarHBondContact N-O 2.88Å; G155-V162 PolarHBondContact N-O 3.15Å; G155-V162 PolarHBondContact O-N 3.16Å; V162-A175 HydrophobicContact CG1-CB 4.19Å; V162-M176 WeakPolarHBondContact CA-O 3.34Å; V162-K177 HydrophobicContact CG2-CB 4.24Å; V162-K177 HydrophobicContact CG2-CG 4.17Å
163	I	90.5	Very high	87.3	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133.1	-172.2	-51.8	-178	0	0	0	109.5	Y150 K152 L153 K161 V165 M176 I178 I444 I446	Y150-I163 HydrophobicContact CD1-CD1 4.21Å; Y150-I163 HydrophobicContact CD1-CG2 4.08Å; K152-I163 CarbonylContact O-C 3.59Å; K152-I163 WeakPolarHBondContact O-CA 3.41Å; K152-I163 VanDerWaalsContact O-CG2 3.32Å; K152-I163 WeakPolarHBondContact O-CG2 3.37Å; L153-I163 HydrophobicContact CD1-CG1 4.1Å; K161-I163 HydrophobicContact CB-CG1 4.29Å; I163-V165 HydrophobicContact CB-CG1 4.38Å; I163-V165 HydrophobicContact CG2-CG1 4.18Å; I163-V165 PolarHBondContact O-N 2.69Å; I163-M176 PolarHBondContact N-O 3.08Å; I163-M176 PolarHBondContact O-N 3.06Å; I163-I178 HydrophobicContact CD1-CD1 3.62Å; I163-I178 HydrophobicContact CG1-CD1 4.29Å; I163-I444 HydrophobicContact CD1-CG2 3.85Å; I163-I444 HydrophobicContact CG2-CD1 3.69Å; I163-I444 HydrophobicContact CG2-CG1 4.36Å; I163-I446 HydrophobicContact CD1-CG1 4.49Å
164	L	93.2	Very high	87.7	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	119.9	166	177	59.7	0	0	0	108.7	L151 K152 L154 Y173 Y227 T432	L151-L164 HydrophobicContact CB-CD2 4.43Å; L151-L164 HydrophobicContact CB-CG 4.26Å; L151-L164 WeakPolarHBondContact CB-O 3.33Å; L151-L164 HydrophobicContact CD1-CG 4.29Å; L151-L164 PolarHBondContact N-O 3.19Å; K152-L164 HydrophobicContact CB-CB 4.32Å; K152-L164 PolarHBondContact N-O 2.91Å; K152-L164 PolarHBondContact O-N 2.76Å; L154-L164 HydrophobicContact CD1-CB 3.97Å; L154-L164 HydrophobicContact CD2-CB 4.03Å; L154-L164 HydrophobicContact CG-CB 3.96Å; L164-Y173 HydrophobicContact CD1-CD1 4.37Å; L164-Y227 HydrophobicContact CD1-CD1 3.58Å; L164-Y227 HydrophobicContact CD1-CD2 3.95Å; L164-Y227 HydrophobicContact CD1-CE1 3.73Å; L164-Y227 HydrophobicContact CD1-CE2 4.12Å; L164-Y227 HydrophobicContact CD1-CG 3.69Å; L164-Y227 HydrophobicContact CD2-CE1 4.25Å; L164-T432 HydrophobicContact CD2-CG2 4.2Å
165	V	93.7	Very high	88.1	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	152.6	179.8	-61.3	0	0	0	0	111.2	F148 D149 Y150 I163 Y173 Y174 M176	F148-V165 HydrophobicContact CB-CB 4.11Å; F148-V165 HydrophobicContact CB-CG1 4.5Å; F148-V165 HydrophobicContact CB-CG2 4.48Å; F148-V165 HydrophobicContact CD1-CB 4.32Å; F148-V165 HydrophobicContact CD1-CG2 3.83Å; F148-V165 HydrophobicContact CG-CG2 4.39Å; D149-V165 CarbonylContact O-C 3.5Å; D149-V165 WeakPolarHBondContact O-CA 3.35Å; D149-V165 WeakPolarHBondContact O-CB 3.5Å; Y150-V165 HydrophobicContact CD1-CG1 3.74Å; Y150-V165 HydrophobicContact CE1-CG1 4.05Å; Y150-V165 HydrophobicContact CG-CG1 4.43Å; I163-V165 HydrophobicContact CB-CG1 4.38Å; I163-V165 HydrophobicContact CG2-CG1 4.18Å; I163-V165 PolarHBondContact O-N 2.69Å; V165-Y173 CarbonylContact O-C 3.57Å; V165-Y173 VanDerWaalsContact O-CA 3.32Å; V165-Y173 WeakPolarHBondContact O-CA 3.37Å; V165-Y174 WeakPolarHBondContact CG2-O 3.45Å; V165-Y174 PolarHBondContact N-O 3.33Å; V165-Y174 PolarHBondContact O-N 2.89Å; V165-M176 HydrophobicContact CG1-CB 3.78Å; V165-M176 HydrophobicContact CG1-CE 4.15Å; V165-M176 HydrophobicContact CG1-SD 4.35Å; V165-M176 HydrophobicContact CG2-CB 3.9Å; V165-M176 HydrophobicContact CG2-CE 4.2Å
166	R	93.9	Very high	88.6	Confident	97 Å²	97	49 Å²	49	37%	0.366	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	126	168.2	-179.2	-178.4	67.9	-178.3	1.5	109.3	F148 D149 L151 K168 G171 K172 Y173	F148-R166 CarbonylContact C-O 3.6Å; F148-R166 VanDerWaalsContact CA-O 3.31Å; F148-R166 WeakPolarHBondContact CA-O 3.49Å; D149-R166 HydrophobicContact CB-CB 4.36Å; D149-R166 PolarHBondContact N-O 3.5Å; D149-R166 PolarHBondContact O-N 3.45Å; D149-R166 IonicContact OD2-CZ 3.38Å; D149-R166 IonicContact OD2-NE 3.18Å; D149-R166 PolarHBondContact OD2-NE 2.83Å; D149-R166 IonicContact OD2-NH2 2.73Å; D149-R166 PolarHBondContact OD2-NH2 3.43Å; L151-R166 HydrophobicContact CD1-CB 3.99Å; R166-K168 PolarHBondContact O-N 3Å; R166-G171 WeakPolarHBondContact CG-O 3.36Å; R166-K172 WeakPolarHBondContact CA-O 3.39Å; R166-Y173 HydrophobicContact CB-CD1 3.97Å; R166-Y173 HydrophobicContact CB-CE1 3.9Å; R166-Y173 HydrophobicContact CG-CD1 4.38Å; R166-Y173 HydrophobicContact CG-CE1 4.11Å
167	E	95.2	Very high	89.3	Confident	7 Å²	7	43.5 Å²	43.5	3%	0.033	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	121.4	172.5	178.1	176.2	-149.1	0	0	109.7	K143 F148 A169 S170 G171 K172 Y174 Y213	K143-E167 VanDerWaalsContact CE-OE1 3.32Å; K143-E167 WeakPolarHBondContact CE-OE1 3.18Å; K143-E167 IonicContact NZ-OE1 2.65Å; K143-E167 PolarHBondContact NZ-OE1 2.9Å; F148-E167 HydrophobicContact CD1-CB 4.04Å; F148-E167 HydrophobicContact CE1-CB 3.86Å; F148-E167 HydrophobicContact CE1-CG 4.19Å; E167-A169 VanDerWaalsContact C-N 3.28Å; E167-A169 HydrophobicContact CG-CB 4.47Å; E167-A169 PolarHBondContact O-N 2.93Å; E167-S170 WeakPolarHBondContact CB-OG 3.43Å; E167-S170 VanDerWaalsContact CD-OG 3.3Å; E167-S170 WeakPolarHBondContact CG-OG 3.34Å; E167-S170 PolarHBondContact O-N 3.1Å; E167-S170 WeakPolarHBondContact OE2-CB 3.42Å; E167-S170 PolarHBondContact OE2-OG 3.41Å; E167-G171 VanDerWaalsContact O-CA 3.3Å; E167-G171 WeakPolarHBondContact O-CA 3.48Å; E167-G171 PolarHBondContact O-N 3.02Å; E167-K172 PolarHBondContact N-O 3.45Å; E167-Y174 HydrophobicContact CB-CD2 4.19Å; E167-Y174 HydrophobicContact CB-CE2 3.84Å; E167-Y213 PolarHBondContact OE1-OH 3.46Å; E167-Y213 PolarHBondContact OE2-OH 3.02Å
168	K	93.4	Very high	90.2	Very high	115 Å²	115	41.4 Å²	41.4	50%	0.5	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-36.6	-175	-69.4	174.7	177.8	172	0	113.1	N146 D147 D149 R166	N146-K168 WeakPolarHBondContact O-CD 3.31Å; N146-K168 WeakPolarHBondContact O-CE 3.49Å; N146-K168 PolarHBondContact O-NZ 3.38Å; D147-K168 WeakPolarHBondContact O-CB 3.42Å; D147-K168 WeakPolarHBondContact O-CG 3.45Å; D147-K168 PolarHBondContact O-N 3.23Å; D149-K168 WeakPolarHBondContact OD1-CE 3.34Å; D149-K168 IonicContact OD1-NZ 3.38Å; R166-K168 PolarHBondContact O-N 3Å
169	A	92.2	Very high	91.1	Very high	91 Å²	91	37 Å²	37	75%	0.752	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-36.8	-175.3	0	0	0	0	0	113.3	E167	E167-A169 VanDerWaalsContact C-N 3.28Å; E167-A169 HydrophobicContact CG-CB 4.47Å; E167-A169 PolarHBondContact O-N 2.93Å
170	S	92.3	Very high	91.7	Very high	59 Å²	59	37.5 Å²	37.5	41%	0.413	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-18.3	-174.1	67.8	0	0	0	0	113.5	E167 K172	E167-S170 WeakPolarHBondContact CB-OG 3.43Å; E167-S170 VanDerWaalsContact CD-OG 3.3Å; E167-S170 WeakPolarHBondContact CG-OG 3.34Å; E167-S170 PolarHBondContact O-N 3.1Å; E167-S170 WeakPolarHBondContact OE2-CB 3.42Å; E167-S170 PolarHBondContact OE2-OG 3.41Å; S170-K172 PolarHBondContact O-N 3.23Å; S170-K172 WeakPolarHBondContact OG-CB 3.44Å; S170-K172 PolarHBondContact OG-N 2.83Å
171	G	92	Very high	91.9	Very high	34 Å²	34	38.2 Å²	38.2	35%	0.351	20%	0.202	S	C	.	.			trans	72.8	-2.5	-170	0	0	0	0	0	114.4	R166 E167	R166-G171 WeakPolarHBondContact CG-O 3.36Å; E167-G171 VanDerWaalsContact O-CA 3.3Å; E167-G171 WeakPolarHBondContact O-CA 3.48Å; E167-G171 PolarHBondContact O-N 3.02Å
172	K	94.5	Very high	91.8	Very high	84 Å²	84	41 Å²	41	37%	0.365	22%	0.216	S	C	.	.			trans	-73.4	146.2	-177.9	-65.6	-166.6	-178.9	-166.4	0	111.8	R166 E167 S170 Y174 E479	R166-K172 WeakPolarHBondContact CA-O 3.39Å; E167-K172 PolarHBondContact N-O 3.45Å; S170-K172 PolarHBondContact O-N 3.23Å; S170-K172 WeakPolarHBondContact OG-CB 3.44Å; S170-K172 PolarHBondContact OG-N 2.83Å; K172-Y174 HydrophobicContact CB-CE2 3.78Å; K172-E479 IonicContact NZ-OE1 2.63Å; K172-E479 PolarHBondContact NZ-OE1 3.47Å; K172-E479 IonicContact NZ-OE2 2.95Å; K172-E479 PolarHBondContact NZ-OE2 2.93Å
173	Y	94.6	Very high	91.2	Very high	61 Å²	61	40.7 Å²	40.7	24%	0.239	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	143	179.3	-61.2	-85.8	0	0	0	112.1	L151 L164 V165 R166 E429 T430	L151-Y173 HydrophobicContact CD1-CD1 3.68Å; L151-Y173 HydrophobicContact CD1-CE1 3.41Å; L151-Y173 VanDerWaalsContact CD1-CE1 3.41Å; L164-Y173 HydrophobicContact CD1-CD1 4.37Å; V165-Y173 CarbonylContact O-C 3.57Å; V165-Y173 VanDerWaalsContact O-CA 3.32Å; V165-Y173 WeakPolarHBondContact O-CA 3.37Å; R166-Y173 HydrophobicContact CB-CD1 3.97Å; R166-Y173 HydrophobicContact CB-CE1 3.9Å; R166-Y173 HydrophobicContact CG-CD1 4.38Å; R166-Y173 HydrophobicContact CG-CE1 4.11Å; Y173-E429 HydrophobicContact CD2-CB 3.81Å; Y173-E429 VanDerWaalsContact CD2-OE2 3.28Å; Y173-E429 WeakPolarHBondContact CD2-OE2 3.15Å; Y173-E429 HydrophobicContact CE2-CB 4Å; Y173-E429 WeakPolarHBondContact CE2-OE2 3.3Å; Y173-T430 HydrophobicContact CD1-CG2 3.66Å; Y173-T430 HydrophobicContact CD2-CG2 4.48Å; Y173-T430 HydrophobicContact CE1-CG2 3.11Å; Y173-T430 HydrophobicContact CE2-CG2 4.06Å; Y173-T430 HydrophobicContact CG-CG2 4.31Å
174	Y	95.6	Very high	90.5	Very high	18 Å²	18	40.6 Å²	40.6	7%	0.071	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	158.5	-178.9	-61.5	-79	0	0	0	111.1	F148 V165 E167 K172 K212 V224 M225	F148-Y174 HydrophobicContact CE1-CD2 4.42Å; V165-Y174 WeakPolarHBondContact CG2-O 3.45Å; V165-Y174 PolarHBondContact N-O 3.33Å; V165-Y174 PolarHBondContact O-N 2.89Å; E167-Y174 HydrophobicContact CB-CD2 4.19Å; E167-Y174 HydrophobicContact CB-CE2 3.84Å; K172-Y174 HydrophobicContact CB-CE2 3.78Å; Y174-K212 HydrophobicContact CD1-CB 4.22Å; Y174-K212 HydrophobicContact CE1-CB 3.85Å; Y174-K212 HydrophobicContact CE1-CD 4.3Å; Y174-K212 HydrophobicContact CE1-CG 3.77Å; Y174-V224 VanDerWaalsContact CB-CG1 3.46Å; Y174-V224 HydrophobicContact CD1-CG1 4.12Å; Y174-V224 HydrophobicContact CD2-CG1 4.07Å; Y174-V224 HydrophobicContact CG-CG1 3.63Å; Y174-M225 CarbonylContact C-O 3.47Å; Y174-M225 WeakPolarHBondContact CA-O 3.26Å; Y174-M225 VanDerWaalsContact CB-O 3.3Å; Y174-M225 WeakPolarHBondContact CB-O 3.26Å
175	A	94.4	Very high	89.7	Confident	9 Å²	9	44.1 Å²	44.1	7%	0.074	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	117.5	165.9	0	0	0	0	0	109.2	L154 V162 M225 Y227	L154-A175 HydrophobicContact CD1-CB 4.27Å; V162-A175 HydrophobicContact CG1-CB 4.19Å; A175-M225 PolarHBondContact N-O 3.44Å; A175-M225 PolarHBondContact O-N 3.09Å; A175-Y227 HydrophobicContact CB-CD2 4.39Å
176	M	93.6	Very high	88.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	108.4	176.7	-172.1	-174.7	-73.2	0	0	110.4	M145 F148 Y150 V162 I163 V165 I178 F215 F223 V224	M145-M176 HydrophobicContact CE-SD 3.91Å; M145-M176 HydrophobicContact SD-CE 4.28Å; M145-M176 HydrophobicContact SD-SD 3.59Å; F148-M176 HydrophobicContact CB-CE 3.95Å; F148-M176 HydrophobicContact CD1-CE 4.14Å; F148-M176 HydrophobicContact CD2-CE 3.46Å; F148-M176 VanDerWaalsContact CD2-CE 3.46Å; F148-M176 HydrophobicContact CE2-CE 3.98Å; F148-M176 HydrophobicContact CG-CE 3.57Å; Y150-M176 HydrophobicContact CE1-CE 4.45Å; Y150-M176 HydrophobicContact CE1-SD 3.88Å; V162-M176 WeakPolarHBondContact CA-O 3.34Å; I163-M176 PolarHBondContact N-O 3.08Å; I163-M176 PolarHBondContact O-N 3.06Å; V165-M176 HydrophobicContact CG1-CB 3.78Å; V165-M176 HydrophobicContact CG1-CE 4.15Å; V165-M176 HydrophobicContact CG1-SD 4.35Å; V165-M176 HydrophobicContact CG2-CB 3.9Å; V165-M176 HydrophobicContact CG2-CE 4.2Å; M176-I178 HydrophobicContact CG-CD1 4.36Å; M176-I178 HydrophobicContact CG-CG1 3.79Å; M176-I178 HydrophobicContact SD-CD1 3.93Å; M176-I178 HydrophobicContact SD-CG1 3.83Å; M176-F215 HydrophobicContact CE-CZ 3.99Å; M176-F223 CarbonylContact C-O 3.57Å; M176-F223 VanDerWaalsContact CA-O 3.28Å; M176-F223 WeakPolarHBondContact CA-O 2.92Å; M176-V224 HydrophobicContact CE-CG2 3.85Å; M176-V224 HydrophobicContact CG-CG2 4.23Å
177	K	92.3	Very high	87.8	Confident	28 Å²	28	49 Å²	49	12%	0.122	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	112.3	171	-176.3	175.3	-177.3	-177.1	0	108.5	V162 L179 E196 C222 F223 M225 D289	V162-K177 HydrophobicContact CG2-CB 4.24Å; V162-K177 HydrophobicContact CG2-CG 4.17Å; K177-L179 HydrophobicContact CD-CD2 4.43Å; K177-L179 HydrophobicContact CG-CD2 3.9Å; K177-L179 HydrophobicContact CG-CG 4.33Å; K177-E196 IonicContact NZ-OE1 2.84Å; K177-E196 PolarHBondContact NZ-OE1 3.19Å; K177-E196 IonicContact NZ-OE2 3.4Å; K177-C222 WeakPolarHBondContact O-CA 3.26Å; K177-F223 HydrophobicContact CB-CB 4.3Å; K177-F223 PolarHBondContact N-O 2.87Å; K177-F223 PolarHBondContact O-N 3.21Å; K177-M225 HydrophobicContact CB-CE 3.89Å; K177-M225 HydrophobicContact CD-CE 4.41Å; K177-D289 IonicContact NZ-OD1 2.76Å; K177-D289 PolarHBondContact NZ-OD1 3.42Å
178	I	90.5	Very high	86.9	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	113.3	-177.7	-54	167.4	0	0	0	108.4	M145 Y150 G160 K161 I163 M176 R220 L221 I446	M145-I178 HydrophobicContact CE-CD1 3.57Å; M145-I178 HydrophobicContact CE-CG1 4.16Å; Y150-I178 HydrophobicContact CE1-CD1 4.32Å; G160-I178 WeakPolarHBondContact CA-O 3.44Å; K161-I178 PolarHBondContact N-O 3.35Å; K161-I178 PolarHBondContact O-N 2.96Å; I163-I178 HydrophobicContact CD1-CD1 3.62Å; I163-I178 HydrophobicContact CG1-CD1 4.29Å; M176-I178 HydrophobicContact CG-CD1 4.36Å; M176-I178 HydrophobicContact CG-CG1 3.79Å; M176-I178 HydrophobicContact SD-CD1 3.93Å; M176-I178 HydrophobicContact SD-CG1 3.83Å; I178-R220 HydrophobicContact CG2-CB 4.09Å; I178-R220 HydrophobicContact CG2-CG 4.06Å; I178-L221 WeakPolarHBondContact CA-O 3.22Å; I178-I446 HydrophobicContact CD1-CD1 4.47Å
179	L	89.7	Confident	86.2	Confident	6 Å²	6	50.5 Å²	50.5	3%	0.031	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	140.1	-179.2	-49.3	177.2	0	0	0	110.6	F159 K177 I184 T193 R220 L221 F223	F159-L179 HydrophobicContact CB-CD2 3.77Å; K177-L179 HydrophobicContact CD-CD2 4.43Å; K177-L179 HydrophobicContact CG-CD2 3.9Å; K177-L179 HydrophobicContact CG-CG 4.33Å; L179-I184 HydrophobicContact CB-CD1 3.71Å; L179-I184 HydrophobicContact CD1-CD1 4.24Å; L179-T193 HydrophobicContact CD1-CG2 4.12Å; L179-R220 CarbonylContact O-C 3.42Å; L179-R220 WeakPolarHBondContact O-CA 3.41Å; L179-R220 WeakPolarHBondContact O-CB 3.5Å; L179-L221 HydrophobicContact CB-CB 4.4Å; L179-L221 PolarHBondContact N-O 3.34Å; L179-L221 PolarHBondContact O-N 3.42Å; L179-F223 HydrophobicContact CD1-CD2 4.29Å; L179-F223 HydrophobicContact CD1-CE2 3.78Å
180	K	86	Confident	85.5	Confident	64 Å²	64	47.2 Å²	47.2	28%	0.278	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	123.9	176.7	-71	175.7	146.9	-140.1	0	110.6	F159 E182 V183 I184	F159-K180 PolarHBondContact O-N 2.98Å; K180-E182 VanDerWaalsContact C-N 3.31Å; K180-E182 HydrophobicContact CB-CG 4.19Å; K180-E182 WeakPolarHBondContact CD-OE1 3.32Å; K180-E182 IonicContact NZ-OE1 2.69Å; K180-E182 PolarHBondContact NZ-OE1 3.02Å; K180-E182 PolarHBondContact O-N 3.39Å; K180-V183 HydrophobicContact CB-CB 4.22Å; K180-V183 HydrophobicContact CB-CG2 3.81Å; K180-V183 HydrophobicContact CD-CG2 3.99Å; K180-V183 PolarHBondContact O-N 3.33Å; K180-I184 WeakPolarHBondContact O-CG1 3.47Å; K180-I184 PolarHBondContact O-N 3.31Å; K180-I184 VanDerWaalsContact O-N 3.15Å
181	K	85.8	Confident	84.8	Confident	30 Å²	30	47.6 Å²	47.6	13%	0.13	26%	0.261	C	S	.	.	H	α-helix	trans	-59.7	-41.6	179.5	-72.2	176.8	173.3	178	0	112	V183 I184 I185 T217 K218 D219 L221 F468	K181-V183 VanDerWaalsContact C-N 3.26Å; K181-V183 PolarHBondContact O-N 3.28Å; K181-I184 PolarHBondContact O-N 2.97Å; K181-I185 VanDerWaalsContact O-CG1 3.29Å; K181-I185 WeakPolarHBondContact O-CG1 3.45Å; K181-I185 PolarHBondContact O-N 3.11Å; K181-T217 PolarHBondContact NZ-O 3.4Å; K181-K218 PolarHBondContact NZ-O 3.33Å; K181-D219 WeakPolarHBondContact CB-O 3.2Å; K181-D219 WeakPolarHBondContact CG-O 3.39Å; K181-D219 PolarHBondContact N-O 3.44Å; K181-L221 HydrophobicContact CG-CD2 4.33Å; K181-L221 HydrophobicContact CG-CG 4.06Å; K181-F468 HydrophobicContact CB-CE2 4.43Å; K181-F468 HydrophobicContact CD-CD2 4.29Å; K181-F468 HydrophobicContact CD-CE2 4.39Å; K181-F468 HydrophobicContact CG-CD2 4.33Å; K181-F468 HydrophobicContact CG-CE2 4.03Å
182	E	83.3	Confident	84.1	Confident	111 Å²	111	48 Å²	48	52%	0.519	25%	0.253	S	S	.	.	H	α-helix	trans	-54.4	-43.2	177.5	74.2	-167.9	167.1	0	0	111.9	K180 A186	K180-E182 VanDerWaalsContact C-N 3.31Å; K180-E182 HydrophobicContact CB-CG 4.19Å; K180-E182 WeakPolarHBondContact CD-OE1 3.32Å; K180-E182 IonicContact NZ-OE1 2.69Å; K180-E182 PolarHBondContact NZ-OE1 3.02Å; K180-E182 PolarHBondContact O-N 3.39Å; E182-A186 WeakPolarHBondContact O-CB 3.45Å; E182-A186 PolarHBondContact O-N 3.09Å
183	V	77.9	Confident	83.3	Confident	34 Å²	34	44.3 Å²	44.3	21%	0.206	24%	0.238	C	C	.	.	H	α-helix	trans	-75.2	-38.6	-176.2	-177.5	0	0	0	0	110.5	F159 K180 K181 K187	F159-V183 HydrophobicContact CD1-CG1 4.11Å; K180-V183 HydrophobicContact CB-CB 4.22Å; K180-V183 HydrophobicContact CB-CG2 3.81Å; K180-V183 HydrophobicContact CD-CG2 3.99Å; K180-V183 PolarHBondContact O-N 3.33Å; K181-V183 VanDerWaalsContact C-N 3.26Å; K181-V183 PolarHBondContact O-N 3.28Å; V183-K187 HydrophobicContact CG1-CD 4.29Å; V183-K187 WeakPolarHBondContact O-CB 3.4Å; V183-K187 WeakPolarHBondContact O-CG 3.25Å; V183-K187 PolarHBondContact O-N 3.03Å; V183-K187 VanDerWaalsContact O-N 3.08Å
184	I	75.7	Confident	82.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-46.9	175.6	-65.6	162.3	0	0	0	110.2	F159 L179 K180 K181 K187 D188 E189 V190 T193 L221 F468	F159-I184 HydrophobicContact CD1-CG1 4.22Å; L179-I184 HydrophobicContact CB-CD1 3.71Å; L179-I184 HydrophobicContact CD1-CD1 4.24Å; K180-I184 WeakPolarHBondContact O-CG1 3.47Å; K180-I184 PolarHBondContact O-N 3.31Å; K180-I184 VanDerWaalsContact O-N 3.15Å; K181-I184 PolarHBondContact O-N 2.97Å; I184-K187 PolarHBondContact O-N 2.93Å; I184-D188 PolarHBondContact O-N 3.05Å; I184-E189 HydrophobicContact CG2-CB 4.11Å; I184-E189 PolarHBondContact O-N 2.92Å; I184-V190 HydrophobicContact CG2-CG2 4.03Å; I184-T193 HydrophobicContact CD1-CG2 4.15Å; I184-L221 HydrophobicContact CD1-CD1 3.79Å; I184-L221 HydrophobicContact CD1-CG 4.45Å; I184-F468 HydrophobicContact CG2-CZ 4.06Å
185	I	77.9	Confident	81.9	Confident	75 Å²	75	43.2 Å²	43.2	39%	0.385	24%	0.238	S	C	.	.	H	α-helix	trans	-66.6	-46.7	180	-65.5	165.1	0	0	0	110.3	K181 K187 D188 V190	K181-I185 VanDerWaalsContact O-CG1 3.29Å; K181-I185 WeakPolarHBondContact O-CG1 3.45Å; K181-I185 PolarHBondContact O-N 3.11Å; I185-K187 PolarHBondContact O-N 3.16Å; I185-D188 PolarHBondContact O-N 3.3Å; I185-V190 HydrophobicContact CG1-CG2 4.04Å
186	A	73.1	Confident	81.4	Confident	89 Å²	89	43.2 Å²	43.2	74%	0.736	24%	0.237	S	C	*	.	H	α-helix	trans	-62.3	-24.9	-180	0	0	0	0	0	113.5	E182	E182-A186 WeakPolarHBondContact O-CB 3.45Å; E182-A186 PolarHBondContact O-N 3.09Å
187	K	73	Confident	81	Confident	110 Å²	110	43.4 Å²	43.4	48%	0.478	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	2.4	176.7	-69.3	-168	170.7	-165.7	0	114.4	F159 V183 I184 I185 E189	F159-K187 HydrophobicContact CD1-CD 4.43Å; F159-K187 HydrophobicContact CE1-CB 4.19Å; F159-K187 HydrophobicContact CE1-CD 3.71Å; F159-K187 HydrophobicContact CZ-CD 4.32Å; V183-K187 HydrophobicContact CG1-CD 4.29Å; V183-K187 WeakPolarHBondContact O-CB 3.4Å; V183-K187 WeakPolarHBondContact O-CG 3.25Å; V183-K187 PolarHBondContact O-N 3.03Å; V183-K187 VanDerWaalsContact O-N 3.08Å; I184-K187 PolarHBondContact O-N 2.93Å; I185-K187 PolarHBondContact O-N 3.16Å; K187-E189 VanDerWaalsContact C-N 3.3Å; K187-E189 HydrophobicContact CB-CG 3.87Å; K187-E189 PolarHBondContact O-N 3.03Å
188	D	77.5	Confident	80.7	Confident	97 Å²	97	46.9 Å²	46.9	52%	0.519	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	34.3	-176.3	-155.7	19.8	0	0	0	114.3	T80 I184 I185	T80-D188 PolarHBondContact OG1-OD2 3.13Å; T80-D188 VanDerWaalsContact OG1-OD2 3.11Å; I184-D188 PolarHBondContact O-N 3.05Å; I185-D188 PolarHBondContact O-N 3.3Å
189	E	78.2	Confident	80.5	Confident	56 Å²	56	46.7 Å²	46.7	26%	0.262	25%	0.249	S	C	.	.			trans	-102.5	15.5	-172.1	-70.8	-72.7	166.1	0	0	113.2	F159 I184 K187 A191 H192 T193	F159-E189 HydrophobicContact CE1-CB 3.93Å; F159-E189 HydrophobicContact CE1-CG 3.72Å; F159-E189 HydrophobicContact CZ-CB 4.16Å; F159-E189 HydrophobicContact CZ-CG 3.67Å; I184-E189 HydrophobicContact CG2-CB 4.11Å; I184-E189 PolarHBondContact O-N 2.92Å; K187-E189 VanDerWaalsContact C-N 3.3Å; K187-E189 HydrophobicContact CB-CG 3.87Å; K187-E189 PolarHBondContact O-N 3.03Å; E189-A191 PolarHBondContact O-N 3.15Å; E189-H192 PolarHBondContact O-N 3.24Å; E189-H192 IonicContact OE1-ND1 3.6Å; E189-H192 WeakPolarHBondContact OE2-CB 3.24Å; E189-H192 IonicContact OE2-CE1 2.81Å; E189-H192 IonicContact OE2-CG 2.78Å; E189-H192 IonicContact OE2-ND1 2.68Å; E189-H192 PolarHBondContact OE2-ND1 3.3Å; E189-T193 PolarHBondContact O-N 3.1Å; E189-T193 PolarHBondContact O-OG1 3.21Å
190	V	78.3	Confident	80.4	Confident	23 Å²	23	46.5 Å²	46.5	14%	0.139	25%	0.248	C	C	.	.	H	α-helix	trans	-61.4	-45.5	-177.3	176.4	0	0	0	0	110.8	I184 I185 T193 L194 H467 F468	I184-V190 HydrophobicContact CG2-CG2 4.03Å; I185-V190 HydrophobicContact CG1-CG2 4.04Å; V190-T193 PolarHBondContact O-N 2.7Å; V190-L194 HydrophobicContact CG1-CD1 4.14Å; V190-L194 WeakPolarHBondContact O-CG 3.36Å; V190-L194 PolarHBondContact O-N 3.22Å; V190-H467 HydrophobicContact CG1-CB 4.45Å; V190-F468 HydrophobicContact CB-CE1 4.44Å; V190-F468 HydrophobicContact CB-CZ 4.42Å; V190-F468 HydrophobicContact CG1-CD1 4.49Å; V190-F468 HydrophobicContact CG1-CE1 3.78Å; V190-F468 HydrophobicContact CG1-CZ 4.01Å; V190-F468 HydrophobicContact CG2-CZ 4.02Å
191	A	77.7	Confident	80.5	Confident	67 Å²	67	45 Å²	45	55%	0.554	24%	0.241	S	C	*	.	H	α-helix	trans	-65.5	-41.1	-178.5	0	0	0	0	0	112.5	E189 L194 T195	E189-A191 PolarHBondContact O-N 3.15Å; A191-L194 PolarHBondContact O-N 2.84Å; A191-T195 WeakPolarHBondContact O-CB 3.48Å; A191-T195 PolarHBondContact O-N 3.49Å; A191-T195 PolarHBondContact O-OG1 3.19Å
192	H	75.8	Confident	80.6	Confident	41 Å²	41	48.7 Å²	48.7	19%	0.19	26%	0.263	C	S	.	.	H	α-helix	trans	-65.6	-43.8	175.8	-66.4	150.1	0	0	0	111.2	E189 L194 T195 E196	E189-H192 PolarHBondContact O-N 3.24Å; E189-H192 IonicContact OE1-ND1 3.6Å; E189-H192 WeakPolarHBondContact OE2-CB 3.24Å; E189-H192 IonicContact OE2-CE1 2.81Å; E189-H192 IonicContact OE2-CG 2.78Å; E189-H192 IonicContact OE2-ND1 2.68Å; E189-H192 PolarHBondContact OE2-ND1 3.3Å; H192-L194 VanDerWaalsContact C-N 3.34Å; H192-L194 PolarHBondContact O-N 3.04Å; H192-T195 WeakPolarHBondContact O-CA 3.33Å; H192-T195 WeakPolarHBondContact O-CB 3.42Å; H192-T195 PolarHBondContact O-N 2.77Å; H192-T195 VanDerWaalsContact O-N 3.08Å; H192-E196 PolarHBondContact O-N 3.47Å
193	T	79.1	Confident	80.9	Confident	8 Å²	8	43.9 Å²	43.9	5%	0.049	24%	0.241	C	C	.	.	H	α-helix	trans	-62.5	-39	177.7	-54.4	0	0	0	0	112.8	L179 I184 E189 V190 T195 S197 L221 F223 F471	L179-T193 HydrophobicContact CD1-CG2 4.12Å; I184-T193 HydrophobicContact CD1-CG2 4.15Å; E189-T193 PolarHBondContact O-N 3.1Å; E189-T193 PolarHBondContact O-OG1 3.21Å; V190-T193 PolarHBondContact O-N 2.7Å; T193-T195 VanDerWaalsContact C-N 3.34Å; T193-S197 WeakPolarHBondContact O-CB 3.41Å; T193-S197 PolarHBondContact O-N 2.89Å; T193-L221 HydrophobicContact CG2-CD1 3.55Å; T193-F223 HydrophobicContact CG2-CZ 4.46Å; T193-F471 HydrophobicContact CG2-CE2 4.46Å
194	L	80.8	Confident	81.5	Confident	41 Å²	41	50 Å²	50	22%	0.215	26%	0.26	C	S	.	.	H	α-helix	trans	-68.3	-34.6	174.5	-72.1	175.1	0	0	0	112.1	V190 A191 H192 S197 R198 F468	V190-L194 HydrophobicContact CG1-CD1 4.14Å; V190-L194 WeakPolarHBondContact O-CG 3.36Å; V190-L194 PolarHBondContact O-N 3.22Å; A191-L194 PolarHBondContact O-N 2.84Å; H192-L194 VanDerWaalsContact C-N 3.34Å; H192-L194 PolarHBondContact O-N 3.04Å; L194-S197 PolarHBondContact O-N 2.98Å; L194-R198 WeakPolarHBondContact O-CG 3.48Å; L194-R198 PolarHBondContact O-N 2.87Å; L194-F468 HydrophobicContact CD2-CD1 3.88Å; L194-F468 HydrophobicContact CG-CD1 4.24Å
195	T	79.5	Confident	82.5	Confident	15 Å²	15	50.7 Å²	50.7	9%	0.092	26%	0.264	C	S	.	.	H	α-helix	trans	-67.9	-48.7	175.6	-56.4	0	0	0	0	110.8	A191 H192 T193 S197 R198 V199 E295	A191-T195 WeakPolarHBondContact O-CB 3.48Å; A191-T195 PolarHBondContact O-N 3.49Å; A191-T195 PolarHBondContact O-OG1 3.19Å; H192-T195 WeakPolarHBondContact O-CA 3.33Å; H192-T195 WeakPolarHBondContact O-CB 3.42Å; H192-T195 PolarHBondContact O-N 2.77Å; H192-T195 VanDerWaalsContact O-N 3.08Å; T193-T195 VanDerWaalsContact C-N 3.34Å; T195-S197 PolarHBondContact O-N 3.03Å; T195-R198 PolarHBondContact O-N 3.26Å; T195-R198 PolarHBondContact OG1-NH2 2.84Å; T195-V199 HydrophobicContact CG2-CG2 4.32Å; T195-V199 WeakPolarHBondContact O-CG2 3.42Å; T195-V199 PolarHBondContact O-N 2.68Å; T195-E295 HydrophobicContact CG2-CG 3.99Å
196	E	83.6	Confident	83.4	Confident	9 Å²	9	48.4 Å²	48.4	4%	0.042	25%	0.254	C	S	.	.	H	α-helix	trans	-51.8	-46.9	171.5	-179.1	179.4	-168.6	0	0	110.3	K177 H192 R198 V199 L200 F223 F290	K177-E196 IonicContact NZ-OE1 2.84Å; K177-E196 PolarHBondContact NZ-OE1 3.19Å; K177-E196 IonicContact NZ-OE2 3.4Å; H192-E196 PolarHBondContact O-N 3.47Å; E196-R198 VanDerWaalsContact C-N 3.34Å; E196-R198 PolarHBondContact O-N 2.95Å; E196-V199 PolarHBondContact O-N 3.08Å; E196-L200 HydrophobicContact CG-CD1 3.79Å; E196-L200 HydrophobicContact CG-CG 4.41Å; E196-L200 VanDerWaalsContact O-CB 3.27Å; E196-L200 WeakPolarHBondContact O-CB 3.49Å; E196-L200 WeakPolarHBondContact O-CG 3.39Å; E196-L200 PolarHBondContact O-N 2.87Å; E196-F223 HydrophobicContact CG-CZ 4.47Å; E196-F290 HydrophobicContact CG-CB 4.21Å
197	S	84.7	Confident	84.6	Confident	4 Å²	4	44.2 Å²	44.2	3%	0.028	22%	0.219	C	C	.	.	H	α-helix	trans	-62.1	-34	177.2	178.9	0	0	0	0	114.4	T193 L194 T195 K201	T193-S197 WeakPolarHBondContact O-CB 3.41Å; T193-S197 PolarHBondContact O-N 2.89Å; L194-S197 PolarHBondContact O-N 2.98Å; T195-S197 PolarHBondContact O-N 3.03Å; S197-K201 VanDerWaalsContact O-CD 3.3Å; S197-K201 WeakPolarHBondContact O-CD 3.45Å; S197-K201 WeakPolarHBondContact O-CE 3.49Å; S197-K201 WeakPolarHBondContact O-CG 3.11Å; S197-K201 VanDerWaalsContact OG-CE 3.27Å; S197-K201 WeakPolarHBondContact OG-CE 3.37Å
198	R	86.2	Confident	85.8	Confident	100 Å²	100	39.1 Å²	39.1	38%	0.377	20%	0.197	S	C	.	.	H	α-helix	trans	-78.3	-46	178.6	-75.2	-171.1	-54.2	-88.7	-8	111	L194 T195 E196 L200 K201 N202 E295	L194-R198 WeakPolarHBondContact O-CG 3.48Å; L194-R198 PolarHBondContact O-N 2.87Å; T195-R198 PolarHBondContact O-N 3.26Å; T195-R198 PolarHBondContact OG1-NH2 2.84Å; E196-R198 VanDerWaalsContact C-N 3.34Å; E196-R198 PolarHBondContact O-N 2.95Å; R198-L200 PolarHBondContact O-N 2.87Å; R198-K201 PolarHBondContact O-N 2.8Å; R198-N202 PolarHBondContact O-N 3.4Å; R198-N202 VanDerWaalsContact O-N 3.14Å; R198-N202 PolarHBondContact O-ND2 2.84Å; R198-E295 IonicContact CZ-OE2 3.58Å; R198-E295 VanDerWaalsContact CZ-OE2 3.3Å; R198-E295 IonicContact NE-OE2 3.92Å; R198-E295 PolarHBondContact NE-OE2 3.45Å; R198-E295 IonicContact NH2-OE2 2.67Å; R198-E295 PolarHBondContact NH2-OE2 3.01Å
199	V	86.3	Confident	86.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-54.6	-54.7	176.8	170.5	0	0	0	0	109.8	T195 E196 K201 N202 T203 I267 F290 C293 E295	T195-V199 HydrophobicContact CG2-CG2 4.32Å; T195-V199 WeakPolarHBondContact O-CG2 3.42Å; T195-V199 PolarHBondContact O-N 2.68Å; E196-V199 PolarHBondContact O-N 3.08Å; V199-K201 VanDerWaalsContact C-N 3.25Å; V199-K201 PolarHBondContact O-N 2.74Å; V199-N202 PolarHBondContact O-N 3.03Å; V199-T203 HydrophobicContact CG1-CG2 3.83Å; V199-T203 VanDerWaalsContact O-CG2 3.27Å; V199-T203 WeakPolarHBondContact O-CG2 3.49Å; V199-T203 PolarHBondContact O-N 3.02Å; V199-T203 PolarHBondContact O-OG1 3.3Å; V199-T203 VanDerWaalsContact O-OG1 3.06Å; V199-I267 HydrophobicContact CG1-CD1 4.21Å; V199-I267 HydrophobicContact CG1-CG2 4.28Å; V199-I267 HydrophobicContact CG2-CD1 4.2Å; V199-I267 HydrophobicContact CG2-CG1 4.3Å; V199-I267 HydrophobicContact CG2-CG2 4.25Å; V199-F290 HydrophobicContact CG1-CB 4.46Å; V199-F290 HydrophobicContact CG1-CD1 3.74Å; V199-F290 HydrophobicContact CG1-CE1 4.44Å; V199-F290 HydrophobicContact CG1-CG 4.39Å; V199-C293 HydrophobicContact CG1-CB 4.45Å; V199-C293 HydrophobicContact CG2-CB 4.23Å; V199-E295 HydrophobicContact CG2-CG 3.55Å
200	L	87.6	Confident	87.2	Confident	3 Å²	3	34.9 Å²	34.9	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-59.7	-30.2	-179.5	-80.1	175.2	0	0	0	114.4	E196 R198 L211 F223 M225 F290	E196-L200 HydrophobicContact CG-CD1 3.79Å; E196-L200 HydrophobicContact CG-CG 4.41Å; E196-L200 VanDerWaalsContact O-CB 3.27Å; E196-L200 WeakPolarHBondContact O-CB 3.49Å; E196-L200 WeakPolarHBondContact O-CG 3.39Å; E196-L200 PolarHBondContact O-N 2.87Å; R198-L200 PolarHBondContact O-N 2.87Å; L200-L211 HydrophobicContact CB-CB 3.97Å; L200-L211 HydrophobicContact CB-CD2 3.91Å; L200-L211 HydrophobicContact CB-CG 4.41Å; L200-L211 WeakPolarHBondContact O-CB 3.4Å; L200-F223 HydrophobicContact CD1-CD1 4.14Å; L200-F223 HydrophobicContact CD1-CE1 4.37Å; L200-M225 HydrophobicContact CD1-SD 4.12Å; L200-F290 HydrophobicContact CD2-CB 4.42Å; L200-F290 HydrophobicContact CD2-CD2 3.44Å; L200-F290 VanDerWaalsContact CD2-CD2 3.44Å; L200-F290 HydrophobicContact CD2-CE2 3.82Å; L200-F290 HydrophobicContact CD2-CG 3.99Å; L200-F290 HydrophobicContact CG-CB 4.31Å; L200-F290 HydrophobicContact CG-CD2 4.22Å; L200-F290 HydrophobicContact CG-CG 4.36Å
201	K	88.3	Confident	87.9	Confident	31 Å²	31	34.3 Å²	34.3	14%	0.135	18%	0.177	C	C	.	.	H	α-helix	trans	-73.9	-32.8	176.6	-74.1	175.2	-167.1	-169.3	0	112.3	S197 R198 V199 L211 S214 Q470 F471 S472 Y473	S197-K201 VanDerWaalsContact O-CD 3.3Å; S197-K201 WeakPolarHBondContact O-CD 3.45Å; S197-K201 WeakPolarHBondContact O-CE 3.49Å; S197-K201 WeakPolarHBondContact O-CG 3.11Å; S197-K201 VanDerWaalsContact OG-CE 3.27Å; S197-K201 WeakPolarHBondContact OG-CE 3.37Å; R198-K201 PolarHBondContact O-N 2.8Å; V199-K201 VanDerWaalsContact C-N 3.25Å; V199-K201 PolarHBondContact O-N 2.74Å; K201-L211 HydrophobicContact CG-CD2 3.68Å; K201-S214 VanDerWaalsContact CE-OG 3.25Å; K201-S214 WeakPolarHBondContact CE-OG 3.28Å; K201-Q470 PolarHBondContact NZ-O 3.44Å; K201-F471 PolarHBondContact NZ-O 3.41Å; K201-S472 PolarHBondContact NZ-O 3.46Å; K201-S472 VanDerWaalsContact NZ-O 3.15Å; K201-Y473 HydrophobicContact CB-CD2 4.34Å; K201-Y473 HydrophobicContact CB-CE2 4.28Å; K201-Y473 HydrophobicContact CD-CD1 4.5Å; K201-Y473 HydrophobicContact CD-CD2 3.89Å; K201-Y473 HydrophobicContact CD-CG 3.82Å; K201-Y473 HydrophobicContact CG-CD1 3.82Å; K201-Y473 HydrophobicContact CG-CD2 3.82Å; K201-Y473 HydrophobicContact CG-CE1 4.19Å; K201-Y473 HydrophobicContact CG-CE2 4.2Å; K201-Y473 HydrophobicContact CG-CG 3.62Å
202	N	87.3	Confident	88.7	Confident	109 Å²	109	33 Å²	33	58%	0.583	16%	0.159	S	C	*	.	H	α-helix	trans	-99	-15.5	-170.7	-65.6	-27.9	0	0	0	113.1	R198 V199 Y261	R198-N202 PolarHBondContact O-N 3.4Å; R198-N202 VanDerWaalsContact O-N 3.14Å; R198-N202 PolarHBondContact O-ND2 2.84Å; V199-N202 PolarHBondContact O-N 3.03Å; N202-Y261 PolarHBondContact O-OH 3.45Å
203	T	89.7	Confident	89.5	Confident	10 Å²	10	31.9 Å²	31.9	6%	0.061	15%	0.153	C	C	.	.			trans	-84.8	129.3	179.5	53.2	0	0	0	0	112.1	V199 L208 Y261 L262 I267	V199-T203 HydrophobicContact CG1-CG2 3.83Å; V199-T203 VanDerWaalsContact O-CG2 3.27Å; V199-T203 WeakPolarHBondContact O-CG2 3.49Å; V199-T203 PolarHBondContact O-N 3.02Å; V199-T203 PolarHBondContact O-OG1 3.3Å; V199-T203 VanDerWaalsContact O-OG1 3.06Å; T203-L208 HydrophobicContact CG2-CD1 4.34Å; T203-Y261 HydrophobicContact CG2-CE1 4.06Å; T203-L262 HydrophobicContact CG2-CD2 3.7Å; T203-I267 HydrophobicContact CG2-CD1 4.25Å
204	R	92.3	Very high	90.1	Very high	161 Å²	161	31.6 Å²	31.6	61%	0.608	15%	0.151	S	C	*	.			trans	-139.3	95.4	174.4	-63.2	-175.1	-175.8	-142.9	-0.1	108.9	Y261	R204-Y261 PolarHBondContact N-OH 2.78Å
205	H	96.7	Very high	90.5	Very high	16 Å²	16	29.9 Å²	29.9	7%	0.074	14%	0.142	C	C	.	.			trans	-145.1	140.2	-179.5	-169.5	-89.1	0	0	0	110.1	F207 L208 S257 Y261 Y414	H205-F207 AromaticContact CE1-CD2 3.56Å; H205-F207 PolarHBondContact ND1-N 2.91Å; H205-F207 PolarHBondContact O-N 3.45Å; H205-F207 VanDerWaalsContact O-N 3.13Å; H205-L208 HydrophobicContact CB-CB 4.06Å; H205-L208 HydrophobicContact CB-CD1 3.74Å; H205-L208 HydrophobicContact CB-CG 3.76Å; H205-L208 PolarHBondContact O-N 3.02Å; H205-L208 VanDerWaalsContact O-N 3.1Å; H205-S257 PolarHBondContact CE1-OG 2.96Å; H205-S257 PolarHBondContact NE2-O 3.06Å; H205-S257 PolarHBondContact NE2-OG 2.84Å; H205-S257 VanDerWaalsContact NE2-OG 3.13Å; H205-Y261 HydrophobicContact CB-CD1 3.79Å; H205-Y261 HydrophobicContact CB-CE1 4.07Å; H205-Y261 HydrophobicContact CB-CG 4.08Å; H205-Y261 VanDerWaalsContact CD2-CB 3.45Å; H205-Y261 WeakPolarHBondContact CD2-CB 3.47Å; H205-Y261 AromaticContact CD2-CG 3.61Å; H205-Y414 AromaticContact CD2-CD2 3.98Å; H205-Y414 AromaticContact CD2-CE2 3.55Å; H205-Y414 AromaticContact NE2-CD2 3.52Å; H205-Y414 AromaticContact NE2-CE2 3.62Å
206	P	96.9	Very high	91	Very high	27 Å²	27	32 Å²	32	18%	0.175	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-34.6	-177.3	20.3	-36.5	0	0	0	114.1	K286 Y414 K416	P206-K286 VanDerWaalsContact O-CE 3.26Å; P206-K286 WeakPolarHBondContact O-CE 3.38Å; P206-K286 PolarHBondContact O-NZ 3.03Å; P206-Y414 HydrophobicContact CG-CD2 4.14Å; P206-Y414 HydrophobicContact CG-CE2 4.25Å; P206-Y414 HydrophobicContact CG-CG 4.44Å; P206-Y414 VanDerWaalsContact CG-O 3.29Å; P206-Y414 WeakPolarHBondContact CG-O 3.14Å; P206-K416 HydrophobicContact CB-CD 4.29Å; P206-K416 HydrophobicContact CB-CG 4.09Å; P206-K416 WeakPolarHBondContact O-CE 3.19Å; P206-K416 PolarHBondContact O-NZ 3.31Å
207	F	98	Very high	91.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	9.3	-176.7	-49.6	-51.8	0	0	0	114.7	H205 E254 A258 H284 I285 K286 I287 V413 K416	H205-F207 AromaticContact CE1-CD2 3.56Å; H205-F207 PolarHBondContact ND1-N 2.91Å; H205-F207 PolarHBondContact O-N 3.45Å; H205-F207 VanDerWaalsContact O-N 3.13Å; F207-E254 HydrophobicContact CD1-CB 4.11Å; F207-E254 HydrophobicContact CD1-CG 4.21Å; F207-E254 HydrophobicContact CD2-CB 3.7Å; F207-E254 HydrophobicContact CD2-CG 4.14Å; F207-E254 WeakPolarHBondContact CD2-O 3.49Å; F207-E254 HydrophobicContact CE1-CB 4.15Å; F207-E254 HydrophobicContact CE1-CG 3.76Å; F207-E254 WeakPolarHBondContact CE1-OE1 3.42Å; F207-E254 HydrophobicContact CE2-CB 3.81Å; F207-E254 HydrophobicContact CE2-CG 3.74Å; F207-E254 HydrophobicContact CG-CB 3.89Å; F207-E254 HydrophobicContact CG-CG 4.4Å; F207-E254 HydrophobicContact CZ-CB 4.02Å; F207-E254 HydrophobicContact CZ-CG 3.51Å; F207-E254 WeakPolarHBondContact CZ-OE1 3.41Å; F207-A258 HydrophobicContact CB-CB 4.15Å; F207-H284 HydrophobicContact CD1-CB 4.31Å; F207-H284 HydrophobicContact CE1-CB 4.03Å; F207-H284 AromaticContact CE1-ND1 3.95Å; F207-I285 VanDerWaalsContact CA-O 3.24Å; F207-I285 WeakPolarHBondContact CA-O 3.41Å; F207-I285 WeakPolarHBondContact CB-O 3.27Å; F207-I285 WeakPolarHBondContact CD1-O 3.36Å; F207-K286 WeakPolarHBondContact O-CA 3.41Å; F207-I287 PolarHBondContact O-N 2.77Å; F207-V413 HydrophobicContact CE2-CG1 3.73Å; F207-V413 WeakPolarHBondContact CE2-O 3.34Å; F207-V413 HydrophobicContact CZ-CG1 4.22Å; F207-V413 WeakPolarHBondContact CZ-O 3.17Å; F207-K416 HydrophobicContact CE1-CD 4.26Å; F207-K416 HydrophobicContact CE1-CG 3.77Å; F207-K416 HydrophobicContact CZ-CG 4.01Å
208	L	96.6	Very high	91	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.016	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-107.8	144.1	170.5	-63.2	-177.6	0	0	0	108.9	T203 H205 S210 A258 Y261 L262 I287 F290	T203-L208 HydrophobicContact CG2-CD1 4.34Å; H205-L208 HydrophobicContact CB-CB 4.06Å; H205-L208 HydrophobicContact CB-CD1 3.74Å; H205-L208 HydrophobicContact CB-CG 3.76Å; H205-L208 PolarHBondContact O-N 3.02Å; H205-L208 VanDerWaalsContact O-N 3.1Å; L208-S210 PolarHBondContact O-N 2.79Å; L208-A258 HydrophobicContact CD2-CB 3.79Å; L208-A258 HydrophobicContact CG-CB 4.29Å; L208-Y261 HydrophobicContact CD1-CD1 3.73Å; L208-Y261 HydrophobicContact CD1-CE1 4.06Å; L208-L262 HydrophobicContact CD1-CD1 4.44Å; L208-L262 HydrophobicContact CD1-CD2 3.71Å; L208-L262 HydrophobicContact CD1-CG 3.97Å; L208-L262 HydrophobicContact CD2-CD1 4.26Å; L208-I287 HydrophobicContact CD2-CB 3.78Å; L208-I287 HydrophobicContact CD2-CD1 4.01Å; L208-I287 HydrophobicContact CD2-CG1 4.07Å; L208-I287 HydrophobicContact CD2-CG2 4.49Å; L208-F290 HydrophobicContact CB-CZ 4Å; L208-F290 HydrophobicContact CD1-CE1 4.35Å; L208-F290 HydrophobicContact CD1-CZ 4.42Å; L208-F290 HydrophobicContact CD2-CE1 4.14Å; L208-F290 HydrophobicContact CD2-CZ 3.88Å; L208-F290 HydrophobicContact CG-CZ 4.3Å
209	T	94	Very high	90.9	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.043	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-66.7	130.7	174.5	-53.5	0	0	0	0	110.1	M225 E226 I287 T288	T209-M225 HydrophobicContact CG2-CB 4.05Å; T209-E226 HydrophobicContact CG2-CB 4.08Å; T209-I287 WeakPolarHBondContact CB-O 3.47Å; T209-I287 PolarHBondContact N-O 2.61Å; T209-I287 PolarHBondContact OG1-O 3.09Å; T209-T288 WeakPolarHBondContact OG1-CG2 3.19Å
210	S	92.6	Very high	91.1	Very high	58 Å²	58	39.7 Å²	39.7	41%	0.406	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-90.6	138.7	-177.6	58.9	0	0	0	0	112.7	L208 M225 E226	L208-S210 PolarHBondContact O-N 2.79Å; S210-M225 CarbonylContact O-C 3.57Å; S210-M225 VanDerWaalsContact O-CA 3.29Å; S210-M225 WeakPolarHBondContact O-CA 3.47Å; S210-E226 PolarHBondContact O-N 2.73Å; S210-E226 PolarHBondContact OG-OE2 3.45Å; S210-E226 VanDerWaalsContact OG-OE2 3.11Å
211	L	93.2	Very high	91.2	Very high	10 Å²	10	39.5 Å²	39.5	5%	0.052	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	120.4	171.4	-177.8	71.6	0	0	0	110.4	L200 K201 Y213 F223 M225 Y473	L200-L211 HydrophobicContact CB-CB 3.97Å; L200-L211 HydrophobicContact CB-CD2 3.91Å; L200-L211 HydrophobicContact CB-CG 4.41Å; L200-L211 WeakPolarHBondContact O-CB 3.4Å; K201-L211 HydrophobicContact CG-CD2 3.68Å; L211-Y213 VanDerWaalsContact CD1-O 3.29Å; L211-Y213 WeakPolarHBondContact CD1-O 3.42Å; L211-F223 HydrophobicContact CD1-CB 3.92Å; L211-F223 HydrophobicContact CD1-CD1 3.9Å; L211-F223 HydrophobicContact CD1-CG 4.43Å; L211-M225 HydrophobicContact CD1-CG 3.87Å; L211-Y473 HydrophobicContact CD2-CD1 3.83Å; L211-Y473 HydrophobicContact CD2-CE1 4.23Å; L211-Y473 HydrophobicContact CG-CD1 4.26Å; L211-Y473 HydrophobicContact CG-CE1 4.45Å
212	K	92.8	Very high	91.4	Very high	40 Å²	40	38 Å²	38	17%	0.174	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-51.5	175.3	-172.7	68.6	178.7	177.6	0	111.7	Y174 V224 A475	Y174-K212 HydrophobicContact CD1-CB 4.22Å; Y174-K212 HydrophobicContact CE1-CB 3.85Å; Y174-K212 HydrophobicContact CE1-CD 4.3Å; Y174-K212 HydrophobicContact CE1-CG 3.77Å; K212-V224 WeakPolarHBondContact CA-O 3.34Å; K212-V224 WeakPolarHBondContact CB-O 3.19Å; K212-V224 PolarHBondContact N-O 2.75Å; K212-A475 HydrophobicContact CD-CB 4.42Å; K212-A475 PolarHBondContact O-N 2.96Å
213	Y	92.6	Very high	91.7	Very high	17 Å²	17	32.9 Å²	32.9	7%	0.067	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	145.8	-179.4	-46.9	-67.7	0	0	0	110	K143 F148 E167 L211 V224 Y473	K143-Y213 HydrophobicContact CG-CD1 3.88Å; K143-Y213 HydrophobicContact CG-CD2 4.46Å; K143-Y213 HydrophobicContact CG-CE1 4.13Å; K143-Y213 HydrophobicContact CG-CG 4.08Å; F148-Y213 HydrophobicContact CE1-CD2 4.36Å; F148-Y213 HydrophobicContact CE1-CE2 4.4Å; F148-Y213 AromaticContact CZ-CD2 3.79Å; F148-Y213 HydrophobicContact CZ-CD2 3.79Å; F148-Y213 HydrophobicContact CZ-CE2 4.08Å; E167-Y213 PolarHBondContact OE1-OH 3.46Å; E167-Y213 PolarHBondContact OE2-OH 3.02Å; L211-Y213 VanDerWaalsContact CD1-O 3.29Å; L211-Y213 WeakPolarHBondContact CD1-O 3.42Å; Y213-V224 HydrophobicContact CD2-CB 3.98Å; Y213-V224 HydrophobicContact CD2-CG1 3.93Å; Y213-V224 HydrophobicContact CD2-CG2 4.37Å; Y213-V224 HydrophobicContact CG-CB 4.48Å; Y213-V224 PolarHBondContact N-O 3.33Å; Y213-V224 VanDerWaalsContact N-O 3.13Å; Y213-V224 PolarHBondContact O-N 3.4Å; Y213-Y473 WeakPolarHBondContact CA-O 3.42Å
214	S	91.7	Very high	91.9	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.014	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	137.9	159.5	68	0	0	0	0	109.5	K201 C222 F471 S472 Y473	K201-S214 VanDerWaalsContact CE-OG 3.25Å; K201-S214 WeakPolarHBondContact CE-OG 3.28Å; S214-C222 VanDerWaalsContact CA-O 3.28Å; S214-C222 WeakPolarHBondContact CA-O 3.33Å; S214-F471 CarbonylContact C-O 3.47Å; S214-F471 WeakPolarHBondContact CB-O 3.3Å; S214-F471 PolarHBondContact OG-O 2.77Å; S214-S472 CarbonylContact O-C 3.54Å; S214-S472 VanDerWaalsContact O-CA 3.31Å; S214-S472 WeakPolarHBondContact O-CA 3.4Å; S214-Y473 PolarHBondContact N-O 2.68Å; S214-Y473 PolarHBondContact O-N 3.23Å; S214-Y473 WeakPolarHBondContact OG-CB 3.29Å
215	F	89.8	Confident	92	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.026	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	166	178.9	59.6	-95.1	0	0	0	110	K143 M145 F148 M176 C222 V224 F471	K143-F215 HydrophobicContact CB-CD1 4.03Å; K143-F215 HydrophobicContact CB-CE1 4.38Å; K143-F215 WeakPolarHBondContact O-CG 3.37Å; M145-F215 HydrophobicContact CG-CE2 3.84Å; M145-F215 HydrophobicContact CG-CZ 4.46Å; M145-F215 HydrophobicContact SD-CE2 3.63Å; M145-F215 HydrophobicContact SD-CZ 3.86Å; F148-F215 HydrophobicContact CD2-CZ 4.5Å; F148-F215 AromaticContact CE2-CE1 3.87Å; F148-F215 HydrophobicContact CE2-CE1 3.87Å; F148-F215 HydrophobicContact CE2-CZ 4.15Å; M176-F215 HydrophobicContact CE-CZ 3.99Å; F215-C222 HydrophobicContact CD2-CB 3.9Å; F215-C222 HydrophobicContact CE1-CB 4.21Å; F215-C222 HydrophobicContact CE2-CB 3.51Å; F215-C222 HydrophobicContact CG-CB 4.38Å; F215-C222 HydrophobicContact CZ-CB 3.69Å; F215-C222 PolarHBondContact N-O 3.38Å; F215-C222 WeakPolarHBondContact O-CB 3.2Å; F215-C222 PolarHBondContact O-N 3.14Å; F215-V224 HydrophobicContact CE1-CG2 3.66Å; F215-V224 HydrophobicContact CZ-CG2 4.37Å; F215-F471 WeakPolarHBondContact O-CD1 3.4Å; F215-F471 VanDerWaalsContact O-CE1 3.22Å; F215-F471 WeakPolarHBondContact O-CE1 3.43Å
216	Q	90.8	Very high	91.9	Very high	59 Å²	59	27.6 Å²	27.6	28%	0.276	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	148.3	-178.6	64.3	-178.3	-55.4	0	0	111.2	R220 L221 F468 F471	Q216-R220 CarbonylContact C-O 3.58Å; Q216-R220 VanDerWaalsContact CA-O 3.28Å; Q216-R220 WeakPolarHBondContact CA-O 3.24Å; Q216-R220 WeakPolarHBondContact CB-O 3.29Å; Q216-L221 HydrophobicContact CB-CD2 3.65Å; Q216-F468 PolarHBondContact NE2-O 3.03Å; Q216-F471 HydrophobicContact CB-CD1 4.13Å
217	T	85	Confident	91.7	Very high	40 Å²	40	27.5 Å²	27.5	25%	0.245	14%	0.135	C	C	.	.			trans	-100.7	-174	165.7	66.9	0	0	0	0	109.2	M145 K181 D219 R220	M145-T217 HydrophobicContact CG-CG2 3.76Å; K181-T217 PolarHBondContact NZ-O 3.4Å; T217-D219 PolarHBondContact O-N 3.13Å; T217-D219 PolarHBondContact OG1-N 2.94Å; T217-D219 PolarHBondContact OG1-OD1 3.42Å; T217-R220 PolarHBondContact N-O 3.21Å; T217-R220 WeakPolarHBondContact OG1-CB 3.44Å; T217-R220 PolarHBondContact OG1-N 2.9Å
218	K	82.1	Confident	91.6	Very high	165 Å²	165	27.9 Å²	27.9	72%	0.717	14%	0.137	S	C	*	.	S	Bend	trans	-54.9	-41.5	172.9	-173	177.3	177.3	-178.8	0	111.2	K181	K181-K218 PolarHBondContact NZ-O 3.33Å
219	D	85.6	Confident	91.4	Very high	43 Å²	43	28.3 Å²	28.3	23%	0.23	14%	0.139	C	C	.	.	S	Bend	trans	-113.5	-13	-168.1	63.1	-37.7	0	0	0	114.8	K181 T217	K181-D219 WeakPolarHBondContact CB-O 3.2Å; K181-D219 WeakPolarHBondContact CG-O 3.39Å; K181-D219 PolarHBondContact N-O 3.44Å; T217-D219 PolarHBondContact O-N 3.13Å; T217-D219 PolarHBondContact OG1-N 2.94Å; T217-D219 PolarHBondContact OG1-OD1 3.42Å
220	R	89.3	Confident	91.4	Very high	26 Å²	26	28 Å²	28	10%	0.098	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	155	-170.3	-62.5	155	-171.8	-89.1	1.4	113.8	I178 L179 Q216 T217 T447	I178-R220 HydrophobicContact CG2-CB 4.09Å; I178-R220 HydrophobicContact CG2-CG 4.06Å; L179-R220 CarbonylContact O-C 3.42Å; L179-R220 WeakPolarHBondContact O-CA 3.41Å; L179-R220 WeakPolarHBondContact O-CB 3.5Å; Q216-R220 CarbonylContact C-O 3.58Å; Q216-R220 VanDerWaalsContact CA-O 3.28Å; Q216-R220 WeakPolarHBondContact CA-O 3.24Å; Q216-R220 WeakPolarHBondContact CB-O 3.29Å; T217-R220 PolarHBondContact N-O 3.21Å; T217-R220 WeakPolarHBondContact OG1-CB 3.44Å; T217-R220 PolarHBondContact OG1-N 2.9Å; R220-T447 PolarHBondContact NH2-O 2.91Å
221	L	91.1	Very high	91.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134	166.5	-60.4	-178.4	0	0	0	108.4	I178 L179 K181 I184 T193 Q216 F468 F471	I178-L221 WeakPolarHBondContact CA-O 3.22Å; L179-L221 HydrophobicContact CB-CB 4.4Å; L179-L221 PolarHBondContact N-O 3.34Å; L179-L221 PolarHBondContact O-N 3.42Å; K181-L221 HydrophobicContact CG-CD2 4.33Å; K181-L221 HydrophobicContact CG-CG 4.06Å; I184-L221 HydrophobicContact CD1-CD1 3.79Å; I184-L221 HydrophobicContact CD1-CG 4.45Å; T193-L221 HydrophobicContact CG2-CD1 3.55Å; Q216-L221 HydrophobicContact CB-CD2 3.65Å; L221-F468 HydrophobicContact CD1-CD1 3.67Å; L221-F468 HydrophobicContact CD1-CD2 4.45Å; L221-F468 HydrophobicContact CD1-CE1 3.57Å; L221-F468 HydrophobicContact CD1-CE2 4.37Å; L221-F468 HydrophobicContact CD1-CG 4.13Å; L221-F468 HydrophobicContact CD1-CZ 3.94Å; L221-F468 HydrophobicContact CD2-CB 4.19Å; L221-F468 HydrophobicContact CD2-CD1 4.34Å; L221-F468 HydrophobicContact CD2-CD2 4.32Å; L221-F468 HydrophobicContact CD2-CG 4.03Å; L221-F471 HydrophobicContact CB-CD1 4.46Å; L221-F471 HydrophobicContact CB-CE1 3.82Å; L221-F471 HydrophobicContact CB-CE2 4.05Å; L221-F471 HydrophobicContact CB-CZ 3.59Å; L221-F471 HydrophobicContact CD1-CD2 4.17Å; L221-F471 HydrophobicContact CD1-CE2 3.87Å; L221-F471 HydrophobicContact CD1-CZ 4.29Å; L221-F471 HydrophobicContact CD2-CB 4.43Å; L221-F471 HydrophobicContact CD2-CD1 3.86Å; L221-F471 HydrophobicContact CD2-CD2 3.98Å; L221-F471 HydrophobicContact CD2-CE1 4.09Å; L221-F471 HydrophobicContact CD2-CE2 4.19Å; L221-F471 HydrophobicContact CD2-CG 3.81Å; L221-F471 HydrophobicContact CD2-CZ 4.25Å; L221-F471 HydrophobicContact CG-CE1 4.46Å; L221-F471 HydrophobicContact CG-CE2 4.26Å; L221-F471 HydrophobicContact CG-CZ 4.25Å
222	C	91	Very high	91.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.3	-174.7	-56.8	0	0	0	0	110.2	M145 K177 S214 F215	M145-C222 HydrophobicContact SD-CB 4.33Å; M145-C222 PolarHBondContact SD-SG 2.69Å; K177-C222 WeakPolarHBondContact O-CA 3.26Å; S214-C222 VanDerWaalsContact CA-O 3.28Å; S214-C222 WeakPolarHBondContact CA-O 3.33Å; F215-C222 HydrophobicContact CD2-CB 3.9Å; F215-C222 HydrophobicContact CE1-CB 4.21Å; F215-C222 HydrophobicContact CE2-CB 3.51Å; F215-C222 HydrophobicContact CG-CB 4.38Å; F215-C222 HydrophobicContact CZ-CB 3.69Å; F215-C222 PolarHBondContact N-O 3.38Å; F215-C222 WeakPolarHBondContact O-CB 3.2Å; F215-C222 PolarHBondContact O-N 3.14Å
223	F	93.4	Very high	91.6	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.2	169.7	-59.9	-80.8	0	0	0	108.8	M176 K177 L179 T193 E196 L200 L211 M225 F471	M176-F223 CarbonylContact C-O 3.57Å; M176-F223 VanDerWaalsContact CA-O 3.28Å; M176-F223 WeakPolarHBondContact CA-O 2.92Å; K177-F223 HydrophobicContact CB-CB 4.3Å; K177-F223 PolarHBondContact N-O 2.87Å; K177-F223 PolarHBondContact O-N 3.21Å; L179-F223 HydrophobicContact CD1-CD2 4.29Å; L179-F223 HydrophobicContact CD1-CE2 3.78Å; T193-F223 HydrophobicContact CG2-CZ 4.46Å; E196-F223 HydrophobicContact CG-CZ 4.47Å; L200-F223 HydrophobicContact CD1-CD1 4.14Å; L200-F223 HydrophobicContact CD1-CE1 4.37Å; L211-F223 HydrophobicContact CD1-CB 3.92Å; L211-F223 HydrophobicContact CD1-CD1 3.9Å; L211-F223 HydrophobicContact CD1-CG 4.43Å; F223-M225 HydrophobicContact CB-CG 4.14Å; F223-M225 HydrophobicContact CB-SD 4.22Å; F223-F471 AromaticContact CD1-CZ 3.88Å; F223-F471 HydrophobicContact CD1-CZ 3.88Å; F223-F471 HydrophobicContact CD2-CZ 4.1Å; F223-F471 HydrophobicContact CE1-CE1 4.34Å; F223-F471 AromaticContact CE1-CE2 3.61Å; F223-F471 HydrophobicContact CE1-CE2 3.61Å; F223-F471 AromaticContact CE1-CZ 3.33Å; F223-F471 HydrophobicContact CE1-CZ 3.33Å; F223-F471 HydrophobicContact CE2-CE2 4.02Å; F223-F471 AromaticContact CE2-CZ 3.62Å; F223-F471 HydrophobicContact CE2-CZ 3.62Å; F223-F471 HydrophobicContact CG-CZ 4.25Å; F223-F471 AromaticContact CZ-CE2 3.32Å; F223-F471 HydrophobicContact CZ-CE2 3.32Å; F223-F471 AromaticContact CZ-CZ 3.23Å; F223-F471 HydrophobicContact CZ-CZ 3.23Å
224	V	94.1	Very high	91.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	108.7	173.9	-174.2	0	0	0	0	107.7	F148 Y174 M176 K212 Y213 F215	F148-V224 HydrophobicContact CE1-CG1 3.94Å; F148-V224 HydrophobicContact CE1-CG2 4.35Å; F148-V224 HydrophobicContact CE2-CG2 4.29Å; F148-V224 HydrophobicContact CZ-CG1 4.2Å; F148-V224 HydrophobicContact CZ-CG2 3.93Å; Y174-V224 VanDerWaalsContact CB-CG1 3.46Å; Y174-V224 HydrophobicContact CD1-CG1 4.12Å; Y174-V224 HydrophobicContact CD2-CG1 4.07Å; Y174-V224 HydrophobicContact CG-CG1 3.63Å; M176-V224 HydrophobicContact CE-CG2 3.85Å; M176-V224 HydrophobicContact CG-CG2 4.23Å; K212-V224 WeakPolarHBondContact CA-O 3.34Å; K212-V224 WeakPolarHBondContact CB-O 3.19Å; K212-V224 PolarHBondContact N-O 2.75Å; Y213-V224 HydrophobicContact CD2-CB 3.98Å; Y213-V224 HydrophobicContact CD2-CG1 3.93Å; Y213-V224 HydrophobicContact CD2-CG2 4.37Å; Y213-V224 HydrophobicContact CG-CB 4.48Å; Y213-V224 PolarHBondContact N-O 3.33Å; Y213-V224 VanDerWaalsContact N-O 3.13Å; Y213-V224 PolarHBondContact O-N 3.4Å; F215-V224 HydrophobicContact CE1-CG2 3.66Å; F215-V224 HydrophobicContact CZ-CG2 4.37Å
225	M	94.7	Very high	91.7	Very high	23 Å²	23	32.1 Å²	32.1	11%	0.113	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	162.3	-171.3	-56.2	175.9	-56.8	0	0	110.3	Y174 A175 K177 L200 T209 S210 L211 F223 Y227	Y174-M225 CarbonylContact C-O 3.47Å; Y174-M225 WeakPolarHBondContact CA-O 3.26Å; Y174-M225 VanDerWaalsContact CB-O 3.3Å; Y174-M225 WeakPolarHBondContact CB-O 3.26Å; A175-M225 PolarHBondContact N-O 3.44Å; A175-M225 PolarHBondContact O-N 3.09Å; K177-M225 HydrophobicContact CB-CE 3.89Å; K177-M225 HydrophobicContact CD-CE 4.41Å; L200-M225 HydrophobicContact CD1-SD 4.12Å; T209-M225 HydrophobicContact CG2-CB 4.05Å; S210-M225 CarbonylContact O-C 3.57Å; S210-M225 VanDerWaalsContact O-CA 3.29Å; S210-M225 WeakPolarHBondContact O-CA 3.47Å; L211-M225 HydrophobicContact CD1-CG 3.87Å; F223-M225 HydrophobicContact CB-CG 4.14Å; F223-M225 HydrophobicContact CB-SD 4.22Å; M225-Y227 PolarHBondContact O-N 2.93Å
226	E	94.1	Very high	92	Very high	54 Å²	54	32 Å²	32	25%	0.252	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.1	133.7	169.1	180	178.7	179.6	0	0	111.4	T209 S210 V228 K286	T209-E226 HydrophobicContact CG2-CB 4.08Å; S210-E226 PolarHBondContact O-N 2.73Å; S210-E226 PolarHBondContact OG-OE2 3.45Å; S210-E226 VanDerWaalsContact OG-OE2 3.11Å; E226-V228 HydrophobicContact CG-CG2 4.41Å; E226-K286 VanDerWaalsContact CD-NZ 3.27Å; E226-K286 WeakPolarHBondContact OE1-CE 3.27Å; E226-K286 IonicContact OE1-NZ 3.03Å; E226-K286 PolarHBondContact OE1-NZ 3.26Å; E226-K286 IonicContact OE2-NZ 2.82Å; E226-K286 PolarHBondContact OE2-NZ 3.47Å
227	Y	94	Very high	92.2	Very high	25 Å²	25	29.6 Å²	29.6	10%	0.098	14%	0.137	C	C	.	.			trans	-87.2	119.5	174	176.9	-129.9	0	0	0	110.2	L154 L164 A175 M225 N229 E429 D431 F435	L154-Y227 HydrophobicContact CD1-CD2 3.81Å; L154-Y227 HydrophobicContact CD1-CE2 3.53Å; L154-Y227 HydrophobicContact CD2-CE2 4.02Å; L154-Y227 HydrophobicContact CG-CE2 4.44Å; L164-Y227 HydrophobicContact CD1-CD1 3.58Å; L164-Y227 HydrophobicContact CD1-CD2 3.95Å; L164-Y227 HydrophobicContact CD1-CE1 3.73Å; L164-Y227 HydrophobicContact CD1-CE2 4.12Å; L164-Y227 HydrophobicContact CD1-CG 3.69Å; L164-Y227 HydrophobicContact CD2-CE1 4.25Å; A175-Y227 HydrophobicContact CB-CD2 4.39Å; M225-Y227 PolarHBondContact O-N 2.93Å; Y227-N229 HydrophobicContact CD1-CB 4.19Å; Y227-N229 HydrophobicContact CE1-CB 3.55Å; Y227-N229 HydrophobicContact CE2-CB 4.42Å; Y227-E429 VanDerWaalsContact CE1-O 3.23Å; Y227-E429 WeakPolarHBondContact CE1-O 3.49Å; Y227-D431 PolarHBondContact OH-O 3.44Å; Y227-F435 AromaticContact CE2-CE2 3.74Å; Y227-F435 HydrophobicContact CE2-CE2 3.74Å; Y227-F435 AromaticContact CE2-CZ 3.58Å; Y227-F435 HydrophobicContact CE2-CZ 3.58Å; Y227-F435 AromaticContact CZ-CE2 3.88Å; Y227-F435 VanDerWaalsContact OH-CE2 3.22Å; Y227-F435 WeakPolarHBondContact OH-CE2 2.96Å
228	V	94.1	Very high	92.6	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.042	14%	0.144	C	C	.	.			trans	-107.5	113.8	-179.1	-175.2	0	0	0	0	108.7	E226 M278 L279 K286 F435	E226-V228 HydrophobicContact CG-CG2 4.41Å; V228-M278 HydrophobicContact CB-CB 4.29Å; V228-M278 HydrophobicContact CB-CE 4.32Å; V228-M278 HydrophobicContact CB-SD 4.22Å; V228-M278 HydrophobicContact CG1-CB 3.56Å; V228-M278 HydrophobicContact CG1-CE 4.43Å; V228-M278 HydrophobicContact CG1-SD 4.45Å; V228-M278 VanDerWaalsContact O-CE 3.25Å; V228-M278 WeakPolarHBondContact O-CE 3.48Å; V228-L279 VanDerWaalsContact CG1-C 3.48Å; V228-L279 WeakPolarHBondContact CG1-O 3.19Å; V228-K286 HydrophobicContact CB-CB 4.49Å; V228-K286 HydrophobicContact CG1-CB 3.94Å; V228-K286 HydrophobicContact CG1-CG 4.06Å; V228-K286 HydrophobicContact CG2-CB 3.79Å; V228-K286 HydrophobicContact CG2-CG 3.84Å; V228-F435 WeakPolarHBondContact O-CZ 3.25Å
229	N	92.4	Very high	93	Very high	12 Å²	12	30.6 Å²	30.6	6%	0.064	14%	0.141	C	C	.	.			trans	-115	5.2	-166.6	65.3	-9.3	0	0	0	115.1	Y227 G231 V426 Y434	Y227-N229 HydrophobicContact CD1-CB 4.19Å; Y227-N229 HydrophobicContact CE1-CB 3.55Å; Y227-N229 HydrophobicContact CE2-CB 4.42Å; N229-G231 VanDerWaalsContact C-N 3.3Å; N229-V426 VanDerWaalsContact ND2-CG1 3.26Å; N229-V426 WeakPolarHBondContact ND2-CG1 3.4Å; N229-V426 WeakPolarHBondContact O-CG2 3.41Å; N229-Y434 WeakPolarHBondContact O-CD2 3.09Å
230	G	94.5	Very high	93.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-83.6	-1.1	176.7	0	0	0	0	0	114.2	H236 L279	G230-H236 PolarHBondContact O-CE1 2.75Å; G230-H236 PolarHBondContact O-NE2 2.74Å; G230-L279 CarbonylContact C-O 3.51Å; G230-L279 WeakPolarHBondContact CA-O 3.39Å; G230-L279 PolarHBondContact N-O 2.86Å
231	G	93.4	Very high	93.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	18%	0.179	C	C	.	.			trans	85.3	165.5	176.9	0	0	0	0	0	114.4	N229 M278 L279 Y434	N229-G231 VanDerWaalsContact C-N 3.3Å; G231-M278 CarbonylContact O-C 3.5Å; G231-M278 WeakPolarHBondContact O-CA 3.42Å; G231-L279 PolarHBondContact O-N 3.25Å; G231-Y434 VanDerWaalsContact CA-CB 3.48Å
232	E	94.2	Very high	93.8	Very high	67 Å²	67	44 Å²	44	31%	0.313	20%	0.2	S	C	.	.	B	Isolated β-bridge	trans	-70.7	147.5	176.9	-59.2	172.5	-170	0	0	111.2	F234 F235 H236 E275 M278	E232-F234 HydrophobicContact CB-CB 4.38Å; E232-F234 PolarHBondContact O-N 3.01Å; E232-F235 HydrophobicContact CB-CB 4.49Å; E232-F235 WeakPolarHBondContact O-CB 3.35Å; E232-F235 PolarHBondContact O-N 3.33Å; E232-H236 PolarHBondContact O-CD2 3.29Å; E232-H236 PolarHBondContact O-N 3.49Å; E232-E275 WeakPolarHBondContact CG-O 3.2Å; E232-M278 HydrophobicContact CG-CG 4.31Å
233	L	95.9	Very high	94.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-59.5	-34.3	170.8	-78.7	-170	0	0	0	111.3	F235 H236 L237 F243 Y251 L274 L277 L279 I285 M339	L233-F235 VanDerWaalsContact C-N 3.32Å; L233-F235 PolarHBondContact O-N 2.85Å; L233-H236 PolarHBondContact O-N 3.34Å; L233-L237 WeakPolarHBondContact O-CB 3.37Å; L233-L237 PolarHBondContact O-N 2.66Å; L233-F243 HydrophobicContact CD2-CE2 4.31Å; L233-Y251 HydrophobicContact CD1-CD2 4.39Å; L233-Y251 HydrophobicContact CD2-CD2 3.86Å; L233-Y251 HydrophobicContact CD2-CE2 3.65Å; L233-Y251 HydrophobicContact CD2-CG 4.46Å; L233-L274 HydrophobicContact CB-CB 4.47Å; L233-L274 HydrophobicContact CB-CD2 3.95Å; L233-L274 HydrophobicContact CD1-CD2 4.19Å; L233-L274 PolarHBondContact N-O 3.16Å; L233-L277 HydrophobicContact CB-CB 4.29Å; L233-L277 HydrophobicContact CD1-CB 3.77Å; L233-L277 HydrophobicContact CD1-CD1 3.99Å; L233-L277 HydrophobicContact CG-CB 3.98Å; L233-L277 WeakPolarHBondContact CG-O 3.41Å; L233-L277 PolarHBondContact N-O 3.21Å; L233-L279 HydrophobicContact CD2-CD1 4.17Å; L233-L279 HydrophobicContact CD2-CD2 3.82Å; L233-L279 HydrophobicContact CD2-CG 3.97Å; L233-I285 HydrophobicContact CD1-CD1 3.62Å; L233-I285 HydrophobicContact CD2-CD1 4.08Å; L233-I285 HydrophobicContact CG-CD1 3.92Å; L233-M339 HydrophobicContact CD1-SD 4.16Å
234	F	93.7	Very high	94.3	Very high	87 Å²	87	47.5 Å²	47.5	38%	0.382	22%	0.223	S	C	.	.	H	α-helix	trans	-55.6	-47.8	175.3	-179.1	-102.8	0	0	0	111.4	E232 H236 L237 S238 L274 E275	E232-F234 HydrophobicContact CB-CB 4.38Å; E232-F234 PolarHBondContact O-N 3.01Å; F234-H236 PolarHBondContact O-N 3.13Å; F234-L237 PolarHBondContact O-N 3.47Å; F234-S238 WeakPolarHBondContact O-CB 3.38Å; F234-S238 PolarHBondContact O-N 3.03Å; F234-L274 HydrophobicContact CB-CB 3.73Å; F234-L274 HydrophobicContact CD2-CB 4.36Å; F234-L274 HydrophobicContact CD2-CD1 4.44Å; F234-L274 PolarHBondContact N-O 2.92Å; F234-E275 HydrophobicContact CB-CG 4.07Å; F234-E275 HydrophobicContact CG-CG 4.18Å
235	F	93	Very high	94.4	Very high	60 Å²	60	49.5 Å²	49.5	26%	0.263	23%	0.233	S	C	.	.	H	α-helix	trans	-57.3	-48.4	176.7	175.7	-88.3	0	0	0	111.7	E232 L233 S238 R239 Y434	E232-F235 HydrophobicContact CB-CB 4.49Å; E232-F235 WeakPolarHBondContact O-CB 3.35Å; E232-F235 PolarHBondContact O-N 3.33Å; L233-F235 VanDerWaalsContact C-N 3.32Å; L233-F235 PolarHBondContact O-N 2.85Å; F235-S238 PolarHBondContact O-N 3.18Å; F235-S238 PolarHBondContact O-OG 2.79Å; F235-R239 HydrophobicContact CE1-CG 4.49Å; F235-R239 PolarHBondContact O-N 2.9Å; F235-Y434 AromaticContact CD1-CD1 3.87Å; F235-Y434 HydrophobicContact CD1-CD1 3.87Å; F235-Y434 HydrophobicContact CD1-CE1 4.47Å; F235-Y434 AromaticContact CE1-CD1 3.36Å; F235-Y434 HydrophobicContact CE1-CD1 3.36Å; F235-Y434 AromaticContact CE1-CE1 3.75Å; F235-Y434 HydrophobicContact CE1-CE1 3.75Å; F235-Y434 AromaticContact CZ-CD1 3.89Å; F235-Y434 HydrophobicContact CZ-CD1 3.89Å; F235-Y434 HydrophobicContact CZ-CE1 4.41Å
236	H	95.2	Very high	94.6	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.019	25%	0.253	C	S	.	.	H	α-helix	trans	-67.3	-41.3	-178.6	-65.5	-62.9	0	0	0	112.4	G230 E232 L233 F234 S238 R239 E240 F243 F422 Y434	G230-H236 PolarHBondContact O-CE1 2.75Å; G230-H236 PolarHBondContact O-NE2 2.74Å; E232-H236 PolarHBondContact O-CD2 3.29Å; E232-H236 PolarHBondContact O-N 3.49Å; L233-H236 PolarHBondContact O-N 3.34Å; F234-H236 PolarHBondContact O-N 3.13Å; H236-S238 VanDerWaalsContact C-N 3.34Å; H236-S238 PolarHBondContact O-N 3.47Å; H236-R239 PolarHBondContact O-N 3.48Å; H236-E240 PolarHBondContact O-N 3.16Å; H236-E240 VanDerWaalsContact O-N 3.15Å; H236-F243 HydrophobicContact CB-CE1 4.32Å; H236-F243 HydrophobicContact CB-CZ 3.85Å; H236-F422 AromaticContact CE1-CE1 3.48Å; H236-F422 VanDerWaalsContact CE1-CE1 3.48Å; H236-F422 WeakPolarHBondContact CE1-CE1 3.41Å; H236-F422 AromaticContact CE1-CZ 3.7Å; H236-F422 AromaticContact ND1-CE1 3.54Å; H236-F422 AromaticContact ND1-CZ 3.58Å; H236-F422 AromaticContact NE2-CE1 3.92Å; H236-Y434 AromaticContact CE1-CE1 3.96Å
237	L	95.3	Very high	94.7	Very high	8 Å²	8	51.3 Å²	51.3	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-64.9	-39.9	177.2	-174.6	65.1	0	0	0	111.2	L233 F234 R239 E240 R241 F243 L274 E338	L233-L237 WeakPolarHBondContact O-CB 3.37Å; L233-L237 PolarHBondContact O-N 2.66Å; F234-L237 PolarHBondContact O-N 3.47Å; L237-R239 PolarHBondContact O-N 3.49Å; L237-E240 PolarHBondContact O-N 2.74Å; L237-R241 VanDerWaalsContact O-CA 3.26Å; L237-R241 WeakPolarHBondContact O-CA 3.18Å; L237-R241 PolarHBondContact O-N 3.06Å; L237-F243 HydrophobicContact CB-CE1 4.15Å; L237-F243 HydrophobicContact CB-CE2 4.21Å; L237-F243 HydrophobicContact CB-CZ 3.78Å; L237-F243 HydrophobicContact CD1-CD1 3.9Å; L237-F243 HydrophobicContact CD1-CD2 4.2Å; L237-F243 HydrophobicContact CD1-CE1 4Å; L237-F243 HydrophobicContact CD1-CE2 4.28Å; L237-F243 HydrophobicContact CD1-CG 3.99Å; L237-F243 HydrophobicContact CD1-CZ 4.19Å; L237-L274 HydrophobicContact CD2-CD1 3.46Å; L237-L274 VanDerWaalsContact CD2-CD1 3.46Å; L237-E338 HydrophobicContact CD2-CG 3.83Å
238	S	92.8	Very high	94.9	Very high	57 Å²	57	50.1 Å²	50.1	40%	0.399	24%	0.239	S	C	.	.	H	α-helix	trans	-58.4	-33.6	178.3	78.8	0	0	0	0	112.8	F234 F235 H236	F234-S238 WeakPolarHBondContact O-CB 3.38Å; F234-S238 PolarHBondContact O-N 3.03Å; F235-S238 PolarHBondContact O-N 3.18Å; F235-S238 PolarHBondContact O-OG 2.79Å; H236-S238 VanDerWaalsContact C-N 3.34Å; H236-S238 PolarHBondContact O-N 3.47Å
239	R	91.5	Very high	95.1	Very high	170 Å²	170	52.7 Å²	52.7	64%	0.642	25%	0.248	S	C	*	.	H	α-helix	trans	-79.5	-41.7	179.2	-69.7	-175	64.7	-177.2	-0.8	113	F235 H236 L237	F235-R239 HydrophobicContact CE1-CG 4.49Å; F235-R239 PolarHBondContact O-N 2.9Å; H236-R239 PolarHBondContact O-N 3.48Å; L237-R239 PolarHBondContact O-N 3.49Å
240	E	93.1	Very high	95.4	Very high	87 Å²	87	53 Å²	53	41%	0.407	25%	0.249	S	C	.	.	H	α-helix	trans	-89.1	-12.1	-176.3	-67.4	179	-118.1	0	0	113.3	H236 L237 V242 F243 R247	H236-E240 PolarHBondContact O-N 3.16Å; H236-E240 VanDerWaalsContact O-N 3.15Å; L237-E240 PolarHBondContact O-N 2.74Å; E240-V242 PolarHBondContact O-N 2.82Å; E240-F243 HydrophobicContact CB-CD1 4.39Å; E240-F243 HydrophobicContact CB-CE1 4.24Å; E240-R247 IonicContact OE1-CZ 3.17Å; E240-R247 IonicContact OE1-NH1 3.48Å; E240-R247 PolarHBondContact OE1-NH1 2.89Å; E240-R247 IonicContact OE1-NH2 3.49Å; E240-R247 PolarHBondContact OE1-NH2 3.28Å; E240-R247 IonicContact OE2-CZ 2.7Å; E240-R247 IonicContact OE2-NH1 3.4Å; E240-R247 PolarHBondContact OE2-NH1 3.39Å
241	R	93.3	Very high	95.6	Very high	193 Å²	193	53 Å²	53	73%	0.728	25%	0.249	S	C	*	.	S	Bend	trans	66.5	-37.6	-174	-55.4	-62.6	-171	171.7	-2.1	114.7	L237 G342	L237-R241 VanDerWaalsContact O-CA 3.26Å; L237-R241 WeakPolarHBondContact O-CA 3.18Å; L237-R241 PolarHBondContact O-N 3.06Å; R241-G342 WeakPolarHBondContact O-CA 3.38Å
242	V	95.7	Very high	95.9	Very high	71 Å²	71	53 Å²	53	43%	0.43	25%	0.249	S	C	.	.	S	Bend	trans	-151.7	142.3	-178.9	67.5	0	0	0	0	109.8	E240 M340	E240-V242 PolarHBondContact O-N 2.82Å; V242-M340 VanDerWaalsContact CG2-C 3.44Å; V242-M340 WeakPolarHBondContact CG2-O 3.33Å
243	F	97.6	Very high	96.1	Very high	5 Å²	5	49.9 Å²	49.9	2%	0.022	23%	0.234	C	C	.	.			trans	-95.1	151.1	169.7	-65	-18.6	0	0	0	111	L233 H236 L237 E240 R247 Y251 M339	L233-F243 HydrophobicContact CD2-CE2 4.31Å; H236-F243 HydrophobicContact CB-CE1 4.32Å; H236-F243 HydrophobicContact CB-CZ 3.85Å; L237-F243 HydrophobicContact CB-CE1 4.15Å; L237-F243 HydrophobicContact CB-CE2 4.21Å; L237-F243 HydrophobicContact CB-CZ 3.78Å; L237-F243 HydrophobicContact CD1-CD1 3.9Å; L237-F243 HydrophobicContact CD1-CD2 4.2Å; L237-F243 HydrophobicContact CD1-CE1 4Å; L237-F243 HydrophobicContact CD1-CE2 4.28Å; L237-F243 HydrophobicContact CD1-CG 3.99Å; L237-F243 HydrophobicContact CD1-CZ 4.19Å; E240-F243 HydrophobicContact CB-CD1 4.39Å; E240-F243 HydrophobicContact CB-CE1 4.24Å; F243-R247 HydrophobicContact CB-CB 4.37Å; F243-R247 HydrophobicContact CB-CG 4.21Å; F243-R247 HydrophobicContact CD2-CG 4.35Å; F243-R247 HydrophobicContact CG-CG 4.26Å; F243-Y251 HydrophobicContact CD2-CD2 4.49Å; F243-Y251 HydrophobicContact CD2-CE2 4.45Å; F243-Y251 HydrophobicContact CE2-CD2 4.46Å; F243-Y251 HydrophobicContact CE2-CE2 4.21Å; F243-M339 HydrophobicContact CB-CB 4.39Å; F243-M339 HydrophobicContact CD2-CB 3.96Å; F243-M339 HydrophobicContact CD2-CG 3.69Å; F243-M339 HydrophobicContact CD2-SD 3.85Å; F243-M339 HydrophobicContact CE2-CG 4.1Å; F243-M339 HydrophobicContact CE2-SD 4.2Å; F243-M339 PolarHBondContact N-O 2.82Å
244	S	97.1	Very high	96.2	Very high	68 Å²	68	50.1 Å²	50.1	48%	0.476	24%	0.235	S	C	.	.			trans	-65	157.1	171.1	64.7	0	0	0	0	111.1	D246 R247 T248	S244-D246 PolarHBondContact O-N 3.27Å; S244-R247 PolarHBondContact O-N 2.82Å; S244-R247 WeakPolarHBondContact OG-CB 3.18Å; S244-R247 PolarHBondContact OG-N 3.41Å; S244-R247 VanDerWaalsContact OG-N 3.17Å; S244-T248 WeakPolarHBondContact O-CB 3.39Å; S244-T248 PolarHBondContact O-N 3.43Å; S244-T248 PolarHBondContact O-OG1 3.19Å
245	E	97.8	Very high	96.4	Very high	42 Å²	42	46 Å²	46	20%	0.196	22%	0.217	C	C	.	.	H	α-helix	trans	-60.2	-35.2	173.5	-62.1	-169	-167.4	0	0	111.5	T248 R249 M340 L369 S370 F404	E245-T248 PolarHBondContact O-N 2.91Å; E245-R249 WeakPolarHBondContact O-CB 3.43Å; E245-R249 PolarHBondContact O-N 2.84Å; E245-M340 HydrophobicContact CB-SD 4.32Å; E245-M340 HydrophobicContact CG-CG 4.4Å; E245-M340 HydrophobicContact CG-SD 3.89Å; E245-L369 WeakPolarHBondContact OE1-CA 3.47Å; E245-S370 PolarHBondContact OE1-N 2.75Å; E245-S370 PolarHBondContact OE1-OG 3.45Å; E245-S370 WeakPolarHBondContact OE2-CB 3.38Å; E245-S370 PolarHBondContact OE2-OG 3.46Å; E245-F404 HydrophobicContact CB-CE2 4.22Å; E245-F404 HydrophobicContact CB-CZ 4.44Å
246	D	97.2	Very high	96.7	Very high	102 Å²	102	43.1 Å²	43.1	55%	0.545	21%	0.205	S	C	.	.	H	α-helix	trans	-65.4	-42.1	176.7	-64.9	-26.8	0	0	0	112.4	S244 T248 R249 F250	S244-D246 PolarHBondContact O-N 3.27Å; D246-T248 VanDerWaalsContact C-N 3.34Å; D246-R249 PolarHBondContact O-N 2.8Å; D246-R249 IonicContact OD1-CZ 3.24Å; D246-R249 IonicContact OD1-NH1 3.8Å; D246-R249 PolarHBondContact OD1-NH1 3.4Å; D246-R249 IonicContact OD1-NH2 3.01Å; D246-R249 PolarHBondContact OD1-NH2 2.87Å; D246-R249 VanDerWaalsContact OD1-NH2 3.13Å; D246-F250 PolarHBondContact O-N 3.09Å
247	R	97.6	Very high	96.9	Very high	12 Å²	12	43.5 Å²	43.5	5%	0.045	21%	0.208	C	C	.	.	H	α-helix	trans	-66.5	-40.1	175	177.1	168.9	-177.3	-176.3	-4	111.5	E240 F243 S244 R249 F250 Y251 P421	E240-R247 IonicContact OE1-CZ 3.17Å; E240-R247 IonicContact OE1-NH1 3.48Å; E240-R247 PolarHBondContact OE1-NH1 2.89Å; E240-R247 IonicContact OE1-NH2 3.49Å; E240-R247 PolarHBondContact OE1-NH2 3.28Å; E240-R247 IonicContact OE2-CZ 2.7Å; E240-R247 IonicContact OE2-NH1 3.4Å; E240-R247 PolarHBondContact OE2-NH1 3.39Å; F243-R247 HydrophobicContact CB-CB 4.37Å; F243-R247 HydrophobicContact CB-CG 4.21Å; F243-R247 HydrophobicContact CD2-CG 4.35Å; F243-R247 HydrophobicContact CG-CG 4.26Å; S244-R247 PolarHBondContact O-N 2.82Å; S244-R247 WeakPolarHBondContact OG-CB 3.18Å; S244-R247 PolarHBondContact OG-N 3.41Å; S244-R247 VanDerWaalsContact OG-N 3.17Å; R247-R249 VanDerWaalsContact C-N 3.34Å; R247-F250 PolarHBondContact O-N 2.97Å; R247-Y251 HydrophobicContact CG-CD2 4.01Å; R247-Y251 HydrophobicContact CG-CE2 3.64Å; R247-Y251 VanDerWaalsContact NE-CE2 3.34Å; R247-Y251 PolarHBondContact O-N 3.26Å; R247-Y251 VanDerWaalsContact O-N 3.09Å; R247-P421 HydrophobicContact CB-CB 4.27Å; R247-P421 HydrophobicContact CB-CG 4.01Å; R247-P421 HydrophobicContact CG-CB 4.37Å; R247-P421 HydrophobicContact CG-CG 3.74Å
248	T	98.1	Very high	97	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-68.1	-35.2	177.2	-54.1	0	0	0	0	111.5	S244 E245 D246 G252 M336 M339 M340	S244-T248 WeakPolarHBondContact O-CB 3.39Å; S244-T248 PolarHBondContact O-N 3.43Å; S244-T248 PolarHBondContact O-OG1 3.19Å; E245-T248 PolarHBondContact O-N 2.91Å; D246-T248 VanDerWaalsContact C-N 3.34Å; T248-G252 WeakPolarHBondContact O-CA 3.31Å; T248-G252 PolarHBondContact O-N 2.89Å; T248-M336 HydrophobicContact CG2-CB 4.01Å; T248-M336 HydrophobicContact CG2-CE 3.86Å; T248-M336 HydrophobicContact CG2-CG 4.03Å; T248-M339 HydrophobicContact CG2-CB 3.91Å; T248-M339 HydrophobicContact CG2-CE 4.05Å; T248-M339 HydrophobicContact CG2-SD 4.25Å; T248-M340 HydrophobicContact CG2-CE 3.92Å; T248-M340 HydrophobicContact CG2-CG 3.7Å; T248-M340 HydrophobicContact CG2-SD 3.99Å; T248-M340 VanDerWaalsContact OG1-CG 3.28Å; T248-M340 WeakPolarHBondContact OG1-CG 3.29Å
249	R	98.4	Very high	97.2	Very high	61 Å²	61	40.4 Å²	40.4	23%	0.23	19%	0.187	C	C	.	.	H	α-helix	trans	-62.5	-43.8	172.2	-170.2	-171.2	-55	107.9	9.2	111.5	E245 D246 R247 A253 F404 F405 V408	E245-R249 WeakPolarHBondContact O-CB 3.43Å; E245-R249 PolarHBondContact O-N 2.84Å; D246-R249 PolarHBondContact O-N 2.8Å; D246-R249 IonicContact OD1-CZ 3.24Å; D246-R249 IonicContact OD1-NH1 3.8Å; D246-R249 PolarHBondContact OD1-NH1 3.4Å; D246-R249 IonicContact OD1-NH2 3.01Å; D246-R249 PolarHBondContact OD1-NH2 2.87Å; D246-R249 VanDerWaalsContact OD1-NH2 3.13Å; R247-R249 VanDerWaalsContact C-N 3.34Å; R249-A253 VanDerWaalsContact O-CB 3.31Å; R249-A253 WeakPolarHBondContact O-CB 3.36Å; R249-A253 PolarHBondContact O-N 2.93Å; R249-F404 HydrophobicContact CB-CD1 4.42Å; R249-F404 HydrophobicContact CB-CE1 3.68Å; R249-F404 HydrophobicContact CB-CZ 4.03Å; R249-F404 WeakPolarHBondContact CD-O 3.29Å; R249-F404 HydrophobicContact CG-CD1 4.22Å; R249-F404 HydrophobicContact CG-CE1 3.97Å; R249-F404 PolarHBondContact NE-O 3.11Å; R249-F405 HydrophobicContact CG-CD1 3.71Å; R249-F405 HydrophobicContact CG-CE1 4.07Å; R249-V408 HydrophobicContact CG-CG2 4.19Å
250	F	98.4	Very high	97.5	Very high	20 Å²	20	34 Å²	34	9%	0.088	17%	0.166	C	C	.	.	H	α-helix	trans	-59.5	-57.9	176.7	-179.9	-85.2	0	0	0	111.3	D246 R247 G252 A253 E254 H284 L418 P420 P421	D246-F250 PolarHBondContact O-N 3.09Å; R247-F250 PolarHBondContact O-N 2.97Å; F250-G252 PolarHBondContact O-N 3.22Å; F250-A253 PolarHBondContact O-N 3.32Å; F250-E254 HydrophobicContact CE1-CG 4.37Å; F250-E254 VanDerWaalsContact CE1-OE1 3.32Å; F250-E254 WeakPolarHBondContact CE1-OE1 3.26Å; F250-E254 WeakPolarHBondContact CZ-OE1 3.44Å; F250-E254 PolarHBondContact O-N 3.34Å; F250-H284 AromaticContact CZ-CE1 3.93Å; F250-H284 AromaticContact CZ-ND1 3.72Å; F250-L418 HydrophobicContact CD2-CB 4.21Å; F250-L418 HydrophobicContact CE2-CB 3.63Å; F250-P420 HydrophobicContact CE1-CB 4.13Å; F250-P420 HydrophobicContact CE1-CG 4.38Å; F250-P420 HydrophobicContact CZ-CB 3.91Å; F250-P420 HydrophobicContact CZ-CG 3.8Å; F250-P421 HydrophobicContact CB-CG 4.14Å; F250-P421 VanDerWaalsContact CD1-CD 3.45Å; F250-P421 HydrophobicContact CD1-CG 4.15Å; F250-P421 VanDerWaalsContact CG-CD 3.46Å; F250-P421 HydrophobicContact CG-CG 4.12Å
251	Y	98.6	Very high	97.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66	-38.5	-179.6	-62.9	-36.2	0	0	0	112.5	L233 F243 R247 A253 E254 I255 L279 G283 I285 M339	L233-Y251 HydrophobicContact CD1-CD2 4.39Å; L233-Y251 HydrophobicContact CD2-CD2 3.86Å; L233-Y251 HydrophobicContact CD2-CE2 3.65Å; L233-Y251 HydrophobicContact CD2-CG 4.46Å; F243-Y251 HydrophobicContact CD2-CD2 4.49Å; F243-Y251 HydrophobicContact CD2-CE2 4.45Å; F243-Y251 HydrophobicContact CE2-CD2 4.46Å; F243-Y251 HydrophobicContact CE2-CE2 4.21Å; R247-Y251 HydrophobicContact CG-CD2 4.01Å; R247-Y251 HydrophobicContact CG-CE2 3.64Å; R247-Y251 VanDerWaalsContact NE-CE2 3.34Å; R247-Y251 PolarHBondContact O-N 3.26Å; R247-Y251 VanDerWaalsContact O-N 3.09Å; Y251-A253 VanDerWaalsContact C-N 3.3Å; Y251-A253 PolarHBondContact O-N 3.46Å; Y251-E254 PolarHBondContact O-N 3.17Å; Y251-I255 WeakPolarHBondContact O-CD1 3.15Å; Y251-I255 WeakPolarHBondContact O-CG1 3.32Å; Y251-I255 PolarHBondContact O-N 2.77Å; Y251-L279 HydrophobicContact CD1-CD2 4.3Å; Y251-L279 HydrophobicContact CE1-CD2 3.67Å; Y251-L279 WeakPolarHBondContact OH-CD1 3.29Å; Y251-G283 WeakPolarHBondContact CE1-O 3.32Å; Y251-I285 HydrophobicContact CD1-CD1 3.78Å; Y251-I285 HydrophobicContact CD1-CG1 3.71Å; Y251-I285 HydrophobicContact CE1-CD1 4.47Å; Y251-I285 HydrophobicContact CG-CD1 3.96Å; Y251-I285 HydrophobicContact CG-CG1 4.19Å; Y251-M339 HydrophobicContact CD2-SD 4.12Å
252	G	98.5	Very high	97.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-58.2	-41.1	175.1	0	0	0	0	0	112.2	T248 F250 I255 V256	T248-G252 WeakPolarHBondContact O-CA 3.31Å; T248-G252 PolarHBondContact O-N 2.89Å; F250-G252 PolarHBondContact O-N 3.22Å; G252-I255 PolarHBondContact O-N 3.11Å; G252-V256 WeakPolarHBondContact O-CB 3.05Å; G252-V256 WeakPolarHBondContact O-CG2 3.4Å; G252-V256 PolarHBondContact O-N 3.06Å
253	A	98.7	Very high	97.8	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.008	11%	0.105	C	C	.	.	H	α-helix	trans	-65.8	-41.1	177	0	0	0	0	0	112.2	R249 F250 Y251 V256 S257 F405 V408 W410 V413	R249-A253 VanDerWaalsContact O-CB 3.31Å; R249-A253 WeakPolarHBondContact O-CB 3.36Å; R249-A253 PolarHBondContact O-N 2.93Å; F250-A253 PolarHBondContact O-N 3.32Å; Y251-A253 VanDerWaalsContact C-N 3.3Å; Y251-A253 PolarHBondContact O-N 3.46Å; A253-V256 PolarHBondContact O-N 2.79Å; A253-S257 WeakPolarHBondContact O-CB 3.49Å; A253-S257 PolarHBondContact O-N 3.12Å; A253-F405 HydrophobicContact CB-CD1 4.2Å; A253-F405 HydrophobicContact CB-CE1 4.09Å; A253-V408 HydrophobicContact CB-CG1 4.13Å; A253-W410 HydrophobicContact CB-CH2 4.01Å; A253-W410 HydrophobicContact CB-CZ3 3.93Å; A253-W410 WeakPolarHBondContact O-CZ3 3.11Å; A253-V413 HydrophobicContact CB-CG1 4.41Å; A253-V413 HydrophobicContact CB-CG2 4.09Å
254	E	98.7	Very high	97.6	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.019	13%	0.131	C	C	.	.	H	α-helix	trans	-65.2	-41	176.6	-63.4	-169.2	153	0	0	112.1	F207 F250 Y251 S257 A258 H284 I285 V413	F207-E254 HydrophobicContact CD1-CB 4.11Å; F207-E254 HydrophobicContact CD1-CG 4.21Å; F207-E254 HydrophobicContact CD2-CB 3.7Å; F207-E254 HydrophobicContact CD2-CG 4.14Å; F207-E254 WeakPolarHBondContact CD2-O 3.49Å; F207-E254 HydrophobicContact CE1-CB 4.15Å; F207-E254 HydrophobicContact CE1-CG 3.76Å; F207-E254 WeakPolarHBondContact CE1-OE1 3.42Å; F207-E254 HydrophobicContact CE2-CB 3.81Å; F207-E254 HydrophobicContact CE2-CG 3.74Å; F207-E254 HydrophobicContact CG-CB 3.89Å; F207-E254 HydrophobicContact CG-CG 4.4Å; F207-E254 HydrophobicContact CZ-CB 4.02Å; F207-E254 HydrophobicContact CZ-CG 3.51Å; F207-E254 WeakPolarHBondContact CZ-OE1 3.41Å; F250-E254 HydrophobicContact CE1-CG 4.37Å; F250-E254 VanDerWaalsContact CE1-OE1 3.32Å; F250-E254 WeakPolarHBondContact CE1-OE1 3.26Å; F250-E254 WeakPolarHBondContact CZ-OE1 3.44Å; F250-E254 PolarHBondContact O-N 3.34Å; Y251-E254 PolarHBondContact O-N 3.17Å; E254-S257 PolarHBondContact O-N 2.64Å; E254-A258 WeakPolarHBondContact O-CB 3.47Å; E254-A258 PolarHBondContact O-N 2.97Å; E254-H284 IonicContact OE1-CE1 2.75Å; E254-H284 IonicContact OE1-CG 2.91Å; E254-H284 IonicContact OE1-ND1 2.87Å; E254-H284 PolarHBondContact OE1-ND1 2.7Å; E254-I285 HydrophobicContact CB-CB 4.07Å; E254-I285 HydrophobicContact CB-CG1 4.12Å; E254-I285 WeakPolarHBondContact OE2-CB 3.35Å; E254-I285 VanDerWaalsContact OE2-CG1 3.27Å; E254-I285 WeakPolarHBondContact OE2-CG1 3.39Å; E254-I285 PolarHBondContact OE2-N 2.89Å; E254-V413 HydrophobicContact CG-CG1 4.24Å
255	I	98.6	Very high	97.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.9	-45.6	175.9	-63.2	161	0	0	0	110.4	Y251 G252 S257 A258 L259 L272 L277 I285 I287 L332 V335 M339	Y251-I255 WeakPolarHBondContact O-CD1 3.15Å; Y251-I255 WeakPolarHBondContact O-CG1 3.32Å; Y251-I255 PolarHBondContact O-N 2.77Å; G252-I255 PolarHBondContact O-N 3.11Å; I255-S257 VanDerWaalsContact C-N 3.32Å; I255-S257 PolarHBondContact O-N 2.82Å; I255-A258 WeakPolarHBondContact O-CB 3.27Å; I255-A258 PolarHBondContact O-N 2.9Å; I255-A258 VanDerWaalsContact O-N 3.14Å; I255-L259 HydrophobicContact CG2-CD1 3.93Å; I255-L259 HydrophobicContact CG2-CG 4.28Å; I255-L259 WeakPolarHBondContact O-CG 2.95Å; I255-L259 PolarHBondContact O-N 2.98Å; I255-L272 HydrophobicContact CG2-CD1 4.05Å; I255-L272 HydrophobicContact CG2-CD2 4.03Å; I255-L277 HydrophobicContact CD1-CD1 3.69Å; I255-L277 HydrophobicContact CD1-CD2 4.22Å; I255-L277 HydrophobicContact CG1-CD1 4.43Å; I255-L277 HydrophobicContact CG1-CD2 4.05Å; I255-I285 HydrophobicContact CG1-CG1 4.48Å; I255-I285 HydrophobicContact CG1-CG2 4.15Å; I255-I287 HydrophobicContact CG2-CD1 4.44Å; I255-L332 HydrophobicContact CB-CD1 4.09Å; I255-L332 HydrophobicContact CD1-CD1 4.48Å; I255-L332 HydrophobicContact CG2-CD1 3.74Å; I255-V335 HydrophobicContact CD1-CG1 4.29Å; I255-M339 HydrophobicContact CD1-CE 4.45Å
256	V	98.7	Very high	97	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.1	-45.4	175.8	168.5	0	0	0	0	110.9	G252 A253 A258 L259 D260 W329 L332 A396 I399 M400 F405 W410	G252-V256 WeakPolarHBondContact O-CB 3.05Å; G252-V256 WeakPolarHBondContact O-CG2 3.4Å; G252-V256 PolarHBondContact O-N 3.06Å; A253-V256 PolarHBondContact O-N 2.79Å; V256-A258 VanDerWaalsContact C-N 3.29Å; V256-A258 PolarHBondContact O-N 2.96Å; V256-L259 PolarHBondContact O-N 3.19Å; V256-D260 WeakPolarHBondContact O-CB 3.32Å; V256-D260 PolarHBondContact O-N 3.43Å; V256-W329 HydrophobicContact CG1-CH2 4.44Å; V256-W329 HydrophobicContact CG1-CZ3 4.44Å; V256-W329 HydrophobicContact CG2-CZ3 4.16Å; V256-L332 HydrophobicContact CG2-CD2 3.43Å; V256-L332 VanDerWaalsContact CG2-CD2 3.43Å; V256-A396 HydrophobicContact CG1-CB 4.37Å; V256-I399 HydrophobicContact CG1-CG2 4.46Å; V256-I399 HydrophobicContact CG2-CG2 3.79Å; V256-M400 HydrophobicContact CG1-CG 3.82Å; V256-F405 HydrophobicContact CG2-CZ 4.48Å; V256-W410 HydrophobicContact CB-CH2 4.03Å; V256-W410 HydrophobicContact CB-CZ3 3.89Å; V256-W410 HydrophobicContact CG1-CH2 3.77Å; V256-W410 HydrophobicContact CG1-CZ3 3.68Å
257	S	98.5	Very high	96.7	Very high	12 Å²	12	21 Å²	21	8%	0.084	12%	0.116	C	C	.	.	H	α-helix	trans	-58.9	-41.5	176.5	-176.5	0	0	0	0	111.9	H205 A253 E254 I255 Y261	H205-S257 PolarHBondContact CE1-OG 2.96Å; H205-S257 PolarHBondContact NE2-O 3.06Å; H205-S257 PolarHBondContact NE2-OG 2.84Å; H205-S257 VanDerWaalsContact NE2-OG 3.13Å; A253-S257 WeakPolarHBondContact O-CB 3.49Å; A253-S257 PolarHBondContact O-N 3.12Å; E254-S257 PolarHBondContact O-N 2.64Å; I255-S257 VanDerWaalsContact C-N 3.32Å; I255-S257 PolarHBondContact O-N 2.82Å; S257-Y261 PolarHBondContact O-N 2.89Å
258	A	98.1	Very high	96.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-68.4	-41.9	179.4	0	0	0	0	0	112.6	F207 L208 E254 I255 V256 Y261 L262 I287	F207-A258 HydrophobicContact CB-CB 4.15Å; L208-A258 HydrophobicContact CD2-CB 3.79Å; L208-A258 HydrophobicContact CG-CB 4.29Å; E254-A258 WeakPolarHBondContact O-CB 3.47Å; E254-A258 PolarHBondContact O-N 2.97Å; I255-A258 WeakPolarHBondContact O-CB 3.27Å; I255-A258 PolarHBondContact O-N 2.9Å; I255-A258 VanDerWaalsContact O-N 3.14Å; V256-A258 VanDerWaalsContact C-N 3.29Å; V256-A258 PolarHBondContact O-N 2.96Å; A258-Y261 WeakPolarHBondContact O-CB 3.15Å; A258-Y261 PolarHBondContact O-N 2.9Å; A258-L262 WeakPolarHBondContact O-CG 3.36Å; A258-L262 PolarHBondContact O-N 3.04Å; A258-L262 VanDerWaalsContact O-N 3.13Å; A258-I287 HydrophobicContact CB-CD1 3.61Å; A258-I287 HydrophobicContact CB-CG1 4.33Å
259	L	97.7	Very high	96.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-69.5	-41	177.6	-68.4	176.7	0	0	0	111.9	I255 V256 Y261 L262 H263 L272 D328 W329	I255-L259 HydrophobicContact CG2-CD1 3.93Å; I255-L259 HydrophobicContact CG2-CG 4.28Å; I255-L259 WeakPolarHBondContact O-CG 2.95Å; I255-L259 PolarHBondContact O-N 2.98Å; V256-L259 PolarHBondContact O-N 3.19Å; L259-Y261 VanDerWaalsContact C-N 3.26Å; L259-Y261 PolarHBondContact O-N 3.29Å; L259-L262 HydrophobicContact CD2-CD1 4.44Å; L259-L262 PolarHBondContact O-N 3.24Å; L259-L262 VanDerWaalsContact O-N 3.1Å; L259-H263 WeakPolarHBondContact O-CB 3.18Å; L259-H263 PolarHBondContact O-CD2 3.35Å; L259-H263 VanDerWaalsContact O-CG 3.3Å; L259-H263 PolarHBondContact O-N 2.77Å; L259-L272 HydrophobicContact CD1-CD2 4.3Å; L259-D328 HydrophobicContact CD1-CB 4.11Å; L259-D328 HydrophobicContact CD2-CB 4.06Å; L259-W329 HydrophobicContact CB-CH2 3.68Å; L259-W329 HydrophobicContact CB-CZ2 4.48Å; L259-W329 HydrophobicContact CB-CZ3 3.8Å; L259-W329 HydrophobicContact CD1-CE3 3.97Å; L259-W329 HydrophobicContact CD1-CH2 4.4Å; L259-W329 HydrophobicContact CD1-CZ3 3.69Å; L259-W329 HydrophobicContact CG-CZ3 4.41Å
260	D	97.5	Very high	95.8	Very high	37 Å²	37	18.5 Å²	18.5	20%	0.198	11%	0.107	C	C	.	.	H	α-helix	trans	-53.8	-46.1	172.7	-173.6	32.6	0	0	0	110.7	V256 L262 H263 S264 A396 K397	V256-D260 WeakPolarHBondContact O-CB 3.32Å; V256-D260 PolarHBondContact O-N 3.43Å; D260-L262 PolarHBondContact O-N 3.15Å; D260-H263 PolarHBondContact O-N 3Å; D260-S264 WeakPolarHBondContact O-CB 3.38Å; D260-S264 PolarHBondContact O-N 3.07Å; D260-A396 HydrophobicContact CB-CB 3.49Å; D260-A396 VanDerWaalsContact CB-CB 3.49Å; D260-A396 WeakPolarHBondContact OD1-CB 3.38Å; D260-K397 IonicContact OD1-NZ 3.68Å; D260-K397 IonicContact OD2-NZ 2.89Å; D260-K397 PolarHBondContact OD2-NZ 3.38Å
261	Y	97.1	Very high	95.5	Very high	66 Å²	66	17.9 Å²	17.9	26%	0.259	10%	0.104	S	C	.	.	H	α-helix	trans	-60.3	-47.4	175.9	175.3	-97.1	0	0	0	112.4	N202 T203 R204 H205 L208 S257 A258 L259 S264 G265	N202-Y261 PolarHBondContact O-OH 3.45Å; T203-Y261 HydrophobicContact CG2-CE1 4.06Å; R204-Y261 PolarHBondContact N-OH 2.78Å; H205-Y261 HydrophobicContact CB-CD1 3.79Å; H205-Y261 HydrophobicContact CB-CE1 4.07Å; H205-Y261 HydrophobicContact CB-CG 4.08Å; H205-Y261 VanDerWaalsContact CD2-CB 3.45Å; H205-Y261 WeakPolarHBondContact CD2-CB 3.47Å; H205-Y261 AromaticContact CD2-CG 3.61Å; L208-Y261 HydrophobicContact CD1-CD1 3.73Å; L208-Y261 HydrophobicContact CD1-CE1 4.06Å; S257-Y261 PolarHBondContact O-N 2.89Å; A258-Y261 WeakPolarHBondContact O-CB 3.15Å; A258-Y261 PolarHBondContact O-N 2.9Å; L259-Y261 VanDerWaalsContact C-N 3.26Å; L259-Y261 PolarHBondContact O-N 3.29Å; Y261-S264 PolarHBondContact O-N 3Å; Y261-S264 PolarHBondContact O-OG 3.23Å; Y261-G265 PolarHBondContact O-N 3.44Å
262	L	95.3	Very high	95.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.8	-47	178.3	-69.6	176.9	0	0	0	111.9	T203 L208 A258 L259 D260 S264 G265 K266 I267 Y269 F290	T203-L262 HydrophobicContact CG2-CD2 3.7Å; L208-L262 HydrophobicContact CD1-CD1 4.44Å; L208-L262 HydrophobicContact CD1-CD2 3.71Å; L208-L262 HydrophobicContact CD1-CG 3.97Å; L208-L262 HydrophobicContact CD2-CD1 4.26Å; A258-L262 WeakPolarHBondContact O-CG 3.36Å; A258-L262 PolarHBondContact O-N 3.04Å; A258-L262 VanDerWaalsContact O-N 3.13Å; L259-L262 HydrophobicContact CD2-CD1 4.44Å; L259-L262 PolarHBondContact O-N 3.24Å; L259-L262 VanDerWaalsContact O-N 3.1Å; D260-L262 PolarHBondContact O-N 3.15Å; L262-S264 VanDerWaalsContact C-N 3.3Å; L262-S264 PolarHBondContact O-N 3.08Å; L262-G265 CarbonylContact O-C 3.54Å; L262-G265 WeakPolarHBondContact O-CA 3.39Å; L262-G265 PolarHBondContact O-N 2.81Å; L262-K266 PolarHBondContact O-N 2.72Å; L262-I267 CarbonylContact C-O 3.6Å; L262-I267 VanDerWaalsContact C-O 3.23Å; L262-I267 HydrophobicContact CB-CB 4.2Å; L262-I267 HydrophobicContact CB-CG2 4.39Å; L262-I267 HydrophobicContact CD2-CB 4.3Å; L262-I267 HydrophobicContact CD2-CD1 4.27Å; L262-I267 HydrophobicContact CD2-CG2 4.07Å; L262-I267 WeakPolarHBondContact O-CB 3.38Å; L262-I267 PolarHBondContact O-N 3.43Å; L262-Y269 HydrophobicContact CD1-CD2 4.39Å; L262-F290 HydrophobicContact CD1-CE1 4.41Å; L262-F290 HydrophobicContact CD2-CE1 4.36Å
263	H	95.1	Very high	95	Very high	6 Å²	6	19.4 Å²	19.4	3%	0.028	11%	0.111	C	C	.	.	H	α-helix	trans	-63.5	-36.6	179.9	-69.9	-173.5	0	0	0	111.8	L259 D260 G265 K266 I267 R325 D328 W329 D395	L259-H263 WeakPolarHBondContact O-CB 3.18Å; L259-H263 PolarHBondContact O-CD2 3.35Å; L259-H263 VanDerWaalsContact O-CG 3.3Å; L259-H263 PolarHBondContact O-N 2.77Å; D260-H263 PolarHBondContact O-N 3Å; H263-G265 PolarHBondContact O-N 3.24Å; H263-K266 PolarHBondContact O-N 3.39Å; H263-I267 PolarHBondContact CD2-O 3.01Å; H263-I267 PolarHBondContact N-O 2.82Å; H263-R325 PolarHBondContact CE1-O 2.79Å; H263-D328 IonicContact CD2-OD2 3.62Å; H263-D328 IonicContact NE2-OD2 2.8Å; H263-D328 PolarHBondContact NE2-OD2 3.08Å; H263-D328 VanDerWaalsContact NE2-OD2 3.09Å; H263-W329 AromaticContact CE1-CE2 3.58Å; H263-W329 AromaticContact CE1-CZ2 3.62Å; H263-W329 AromaticContact CE1-NE1 3.63Å; H263-W329 AromaticContact ND1-CE2 3.82Å; H263-W329 AromaticContact ND1-CZ2 3.53Å; H263-W329 AromaticContact ND1-NE1 3.84Å; H263-D395 VanDerWaalsContact CB-OD2 3.29Å; H263-D395 WeakPolarHBondContact CB-OD2 3.48Å; H263-D395 IonicContact CE1-OD1 3.95Å; H263-D395 IonicContact CG-OD2 2.7Å; H263-D395 IonicContact ND1-OD1 3.44Å; H263-D395 PolarHBondContact ND1-OD1 2.92Å; H263-D395 IonicContact ND1-OD2 2.63Å; H263-D395 PolarHBondContact ND1-OD2 3.42Å
264	S	93.7	Very high	94.8	Very high	81 Å²	81	19.4 Å²	19.4	57%	0.566	11%	0.111	S	C	*	.	H	α-helix	trans	-60.8	-34.7	173.1	81.6	0	0	0	0	112	D260 Y261 L262 K266	D260-S264 WeakPolarHBondContact O-CB 3.38Å; D260-S264 PolarHBondContact O-N 3.07Å; Y261-S264 PolarHBondContact O-N 3Å; Y261-S264 PolarHBondContact O-OG 3.23Å; L262-S264 VanDerWaalsContact C-N 3.3Å; L262-S264 PolarHBondContact O-N 3.08Å; S264-K266 VanDerWaalsContact C-N 3.26Å; S264-K266 PolarHBondContact O-N 3.39Å
265	G	92	Very high	94.4	Very high	47 Å²	47	22 Å²	22	49%	0.485	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	8.3	172.9	0	0	0	0	0	114.9	Y261 L262 H263 I267	Y261-G265 PolarHBondContact O-N 3.44Å; L262-G265 CarbonylContact O-C 3.54Å; L262-G265 WeakPolarHBondContact O-CA 3.39Å; L262-G265 PolarHBondContact O-N 2.81Å; H263-G265 PolarHBondContact O-N 3.24Å; G265-I267 PolarHBondContact O-N 2.95Å
266	K	91	Very high	94.2	Very high	79 Å²	79	22.6 Å²	22.6	34%	0.343	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	35.3	-176.9	-50.2	-56.8	178.2	-173.3	0	112.9	L262 H263 S264 E295 G296 I297 T298	L262-K266 PolarHBondContact O-N 2.72Å; H263-K266 PolarHBondContact O-N 3.39Å; S264-K266 VanDerWaalsContact C-N 3.26Å; S264-K266 PolarHBondContact O-N 3.39Å; K266-E295 CarbonylContact O-C 3.49Å; K266-E295 WeakPolarHBondContact O-CA 3.45Å; K266-G296 PolarHBondContact O-N 2.84Å; K266-I297 WeakPolarHBondContact CB-O 3.48Å; K266-I297 WeakPolarHBondContact CD-O 3.39Å; K266-I297 PolarHBondContact O-N 3.44Å; K266-T298 HydrophobicContact CD-CG2 4.43Å
267	I	91.4	Very high	94.1	Very high	15 Å²	15	22.6 Å²	22.6	8%	0.077	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131	176.7	-61.1	158	0	0	0	108.7	V199 T203 L262 H263 G265 C293 K294 E295	V199-I267 HydrophobicContact CG1-CD1 4.21Å; V199-I267 HydrophobicContact CG1-CG2 4.28Å; V199-I267 HydrophobicContact CG2-CD1 4.2Å; V199-I267 HydrophobicContact CG2-CG1 4.3Å; V199-I267 HydrophobicContact CG2-CG2 4.25Å; T203-I267 HydrophobicContact CG2-CD1 4.25Å; L262-I267 CarbonylContact C-O 3.6Å; L262-I267 VanDerWaalsContact C-O 3.23Å; L262-I267 HydrophobicContact CB-CB 4.2Å; L262-I267 HydrophobicContact CB-CG2 4.39Å; L262-I267 HydrophobicContact CD2-CB 4.3Å; L262-I267 HydrophobicContact CD2-CD1 4.27Å; L262-I267 HydrophobicContact CD2-CG2 4.07Å; L262-I267 WeakPolarHBondContact O-CB 3.38Å; L262-I267 PolarHBondContact O-N 3.43Å; H263-I267 PolarHBondContact CD2-O 3.01Å; H263-I267 PolarHBondContact N-O 2.82Å; G265-I267 PolarHBondContact O-N 2.95Å; I267-C293 HydrophobicContact CG2-CB 4.13Å; I267-K294 VanDerWaalsContact CA-O 3.31Å; I267-K294 WeakPolarHBondContact CA-O 3.31Å; I267-E295 HydrophobicContact CG1-CG 4.12Å
268	V	91.9	Very high	94	Very high	2 Å²	2	23 Å²	23	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.8	169.8	-172.1	0	0	0	0	108.7	R270 C293 K294 I297 M303 R325 V327 D328	V268-R270 HydrophobicContact CB-CG 4.23Å; V268-R270 HydrophobicContact CG1-CG 3.66Å; V268-C293 CarbonylContact O-C 3.57Å; V268-C293 VanDerWaalsContact O-CA 3.28Å; V268-C293 WeakPolarHBondContact O-CA 3.41Å; V268-K294 PolarHBondContact N-O 3.24Å; V268-K294 PolarHBondContact O-N 3.25Å; V268-I297 HydrophobicContact CG2-CB 3.85Å; V268-I297 HydrophobicContact CG2-CG1 3.94Å; V268-I297 HydrophobicContact CG2-CG2 3.79Å; V268-M303 HydrophobicContact CB-CE 3.89Å; V268-M303 HydrophobicContact CG1-CE 3.93Å; V268-M303 HydrophobicContact CG2-CE 3.96Å; V268-R325 HydrophobicContact CG2-CB 3.86Å; V268-V327 HydrophobicContact CG1-CG2 3.7Å; V268-D328 WeakPolarHBondContact CG1-OD2 3.1Å
269	Y	92.8	Very high	93.9	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.			trans	-79.2	-47.1	-172.1	-178.9	-111.3	0	0	0	113.3	L262 D271 L272 N276 I287 T288 D289 F290 L292 D328	L262-Y269 HydrophobicContact CD1-CD2 4.39Å; Y269-D271 VanDerWaalsContact C-N 3.26Å; Y269-D271 HydrophobicContact CE1-CB 4.37Å; Y269-D271 VanDerWaalsContact CE1-O 3.24Å; Y269-D271 WeakPolarHBondContact CE1-O 3.2Å; Y269-D271 PolarHBondContact O-N 3.43Å; Y269-D271 VanDerWaalsContact O-N 3.16Å; Y269-L272 HydrophobicContact CD1-CB 4.14Å; Y269-L272 HydrophobicContact CD1-CD1 3.97Å; Y269-L272 HydrophobicContact CE1-CB 4.28Å; Y269-L272 HydrophobicContact CE1-CD1 3.97Å; Y269-N276 WeakPolarHBondContact OH-CB 3.3Å; Y269-N276 PolarHBondContact OH-ND2 2.77Å; Y269-I287 HydrophobicContact CD2-CG2 4.29Å; Y269-I287 HydrophobicContact CE1-CG2 3.91Å; Y269-I287 HydrophobicContact CE2-CG2 3.63Å; Y269-I287 VanDerWaalsContact CZ-CG2 3.43Å; Y269-T288 PolarHBondContact OH-O 2.53Å; Y269-D289 PolarHBondContact OH-O 2.81Å; Y269-F290 HydrophobicContact CD2-CD1 4.37Å; Y269-F290 HydrophobicContact CE2-CD1 4.41Å; Y269-L292 CarbonylContact O-C 3.58Å; Y269-D328 WeakPolarHBondContact CB-OD2 3.29Å; Y269-D328 PolarHBondContact N-OD2 3.5Å
270	R	90.4	Very high	93.8	Very high	19 Å²	19	23.7 Å²	23.7	7%	0.072	13%	0.13	C	C	.	.			trans	67.3	-6.2	172.7	-53.9	-170.8	-68.1	171.2	1.9	118.6	V268 L292 M303 C307 Y323 V327 D328	V268-R270 HydrophobicContact CB-CG 4.23Å; V268-R270 HydrophobicContact CG1-CG 3.66Å; R270-L292 PolarHBondContact NE-O 3.25Å; R270-L292 PolarHBondContact NH2-O 3.17Å; R270-M303 HydrophobicContact CG-CE 4.34Å; R270-C307 VanDerWaalsContact CZ-SG 3.51Å; R270-C307 PolarHBondContact NH1-SG 3.13Å; R270-Y323 PolarHBondContact NH1-OH 3.04Å; R270-Y323 VanDerWaalsContact NH1-OH 3.13Å; R270-V327 HydrophobicContact CG-CG2 4.15Å; R270-D328 WeakPolarHBondContact CA-OD1 3.17Å; R270-D328 PolarHBondContact N-OD1 3.11Å
271	D	90.3	Very high	93.6	Very high	7 Å²	7	27.1 Å²	27.1	4%	0.037	14%	0.144	C	C	.	.			trans	-128.8	42.6	-177.8	-162.6	30.9	0	0	0	112.4	Y269 K273 N276 L292	Y269-D271 VanDerWaalsContact C-N 3.26Å; Y269-D271 HydrophobicContact CE1-CB 4.37Å; Y269-D271 VanDerWaalsContact CE1-O 3.24Å; Y269-D271 WeakPolarHBondContact CE1-O 3.2Å; Y269-D271 PolarHBondContact O-N 3.43Å; Y269-D271 VanDerWaalsContact O-N 3.16Å; D271-K273 PolarHBondContact O-N 3.15Å; D271-K273 IonicContact OD1-NZ 3.13Å; D271-K273 PolarHBondContact OD1-NZ 3.42Å; D271-K273 IonicContact OD2-NZ 3.35Å; D271-K273 PolarHBondContact OD2-NZ 2.89Å; D271-N276 VanDerWaalsContact CG-ND2 3.34Å; D271-N276 PolarHBondContact O-ND2 2.87Å; D271-N276 PolarHBondContact OD2-ND2 3.2Å; D271-L292 HydrophobicContact CB-CB 4.1Å; D271-L292 HydrophobicContact CB-CD1 3.74Å; D271-L292 HydrophobicContact CB-CG 4.38Å
272	L	93.8	Very high	93.5	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.026	15%	0.145	C	C	.	.			trans	-73.9	110	179.7	-157.2	79.6	0	0	0	110.6	I255 L259 Y269 L277 I287 Y312 G331 L332 V335	I255-L272 HydrophobicContact CG2-CD1 4.05Å; I255-L272 HydrophobicContact CG2-CD2 4.03Å; L259-L272 HydrophobicContact CD1-CD2 4.3Å; Y269-L272 HydrophobicContact CD1-CB 4.14Å; Y269-L272 HydrophobicContact CD1-CD1 3.97Å; Y269-L272 HydrophobicContact CE1-CB 4.28Å; Y269-L272 HydrophobicContact CE1-CD1 3.97Å; L272-L277 HydrophobicContact CD1-CD2 4.1Å; L272-I287 HydrophobicContact CD1-CD1 4.37Å; L272-Y312 WeakPolarHBondContact O-CD1 3.44Å; L272-G331 VanDerWaalsContact CD2-C 3.48Å; L272-L332 VanDerWaalsContact CD2-CA 3.48Å; L272-L332 HydrophobicContact CD2-CB 3.98Å; L272-L332 VanDerWaalsContact CD2-N 3.25Å; L272-V335 HydrophobicContact CD2-CG2 4.35Å; L272-V335 HydrophobicContact CG-CG2 4.29Å
273	K	93.7	Very high	93.5	Very high	27 Å²	27	26.6 Å²	26.6	12%	0.117	15%	0.145	C	C	.	.			trans	-150.3	161.3	177.4	62.9	-173.1	174.2	-132.7	0	111	D271 E275 N276 L277 T309 Y312	D271-K273 PolarHBondContact O-N 3.15Å; D271-K273 IonicContact OD1-NZ 3.13Å; D271-K273 PolarHBondContact OD1-NZ 3.42Å; D271-K273 IonicContact OD2-NZ 3.35Å; D271-K273 PolarHBondContact OD2-NZ 2.89Å; K273-E275 WeakPolarHBondContact CB-OE2 3.32Å; K273-E275 HydrophobicContact CG-CB 4.41Å; K273-E275 WeakPolarHBondContact CG-OE2 3.4Å; K273-E275 PolarHBondContact O-N 3.42Å; K273-N276 WeakPolarHBondContact CE-ND2 3.43Å; K273-N276 WeakPolarHBondContact CE-OD1 3.2Å; K273-N276 HydrophobicContact CG-CB 4.09Å; K273-N276 PolarHBondContact O-N 3.28Å; K273-N276 VanDerWaalsContact O-N 3.13Å; K273-L277 WeakPolarHBondContact O-CG 3.24Å; K273-L277 PolarHBondContact O-N 2.95Å; K273-T309 HydrophobicContact CD-CG2 4.47Å; K273-T309 WeakPolarHBondContact CD-OG1 3.38Å; K273-T309 PolarHBondContact NZ-OG1 2.85Å; K273-Y312 HydrophobicContact CB-CD1 4.07Å; K273-Y312 HydrophobicContact CB-CD2 3.88Å; K273-Y312 HydrophobicContact CB-CE1 3.86Å; K273-Y312 HydrophobicContact CB-CE2 3.65Å; K273-Y312 HydrophobicContact CB-CG 4.06Å
274	L	94.1	Very high	93.7	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.1	-174.1	-69.6	179.6	0	0	0	114.1	L233 F234 L237 Y312 V335 E338 M339	L233-L274 HydrophobicContact CB-CB 4.47Å; L233-L274 HydrophobicContact CB-CD2 3.95Å; L233-L274 HydrophobicContact CD1-CD2 4.19Å; L233-L274 PolarHBondContact N-O 3.16Å; F234-L274 HydrophobicContact CB-CB 3.73Å; F234-L274 HydrophobicContact CD2-CB 4.36Å; F234-L274 HydrophobicContact CD2-CD1 4.44Å; F234-L274 PolarHBondContact N-O 2.92Å; L237-L274 HydrophobicContact CD2-CD1 3.46Å; L237-L274 VanDerWaalsContact CD2-CD1 3.46Å; L274-Y312 PolarHBondContact N-OH 2.86Å; L274-V335 HydrophobicContact CD2-CG1 3.88Å; L274-E338 HydrophobicContact CD1-CB 4.3Å; L274-E338 HydrophobicContact CD1-CG 3.88Å; L274-E338 WeakPolarHBondContact CD1-OE2 3.4Å; L274-M339 HydrophobicContact CD2-CG 4.1Å
275	E	91.6	Very high	93.9	Very high	60 Å²	60	23.1 Å²	23.1	28%	0.28	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-32.5	177.8	-57.4	92.7	146	0	0	112	E232 F234 K273 L277	E232-E275 WeakPolarHBondContact CG-O 3.2Å; F234-E275 HydrophobicContact CB-CG 4.07Å; F234-E275 HydrophobicContact CG-CG 4.18Å; K273-E275 WeakPolarHBondContact CB-OE2 3.32Å; K273-E275 HydrophobicContact CG-CB 4.41Å; K273-E275 WeakPolarHBondContact CG-OE2 3.4Å; K273-E275 PolarHBondContact O-N 3.42Å; E275-L277 VanDerWaalsContact C-N 3.29Å
276	N	93.3	Very high	94.1	Very high	12 Å²	12	21.5 Å²	21.5	6%	0.064	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-8.8	178.2	-73.7	-4.5	0	0	0	112.9	Y269 D271 K273 T288	Y269-N276 WeakPolarHBondContact OH-CB 3.3Å; Y269-N276 PolarHBondContact OH-ND2 2.77Å; D271-N276 VanDerWaalsContact CG-ND2 3.34Å; D271-N276 PolarHBondContact O-ND2 2.87Å; D271-N276 PolarHBondContact OD2-ND2 3.2Å; K273-N276 WeakPolarHBondContact CE-ND2 3.43Å; K273-N276 WeakPolarHBondContact CE-OD1 3.2Å; K273-N276 HydrophobicContact CG-CB 4.09Å; K273-N276 PolarHBondContact O-N 3.28Å; K273-N276 VanDerWaalsContact O-N 3.13Å; N276-T288 PolarHBondContact O-N 3.05Å; N276-T288 PolarHBondContact O-OG1 3.37Å
277	L	96.9	Very high	94.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	99.5	178.9	-64.7	173.1	0	0	0	109.5	L233 I255 L272 K273 E275 I285 I287 V335	L233-L277 HydrophobicContact CB-CB 4.29Å; L233-L277 HydrophobicContact CD1-CB 3.77Å; L233-L277 HydrophobicContact CD1-CD1 3.99Å; L233-L277 HydrophobicContact CG-CB 3.98Å; L233-L277 WeakPolarHBondContact CG-O 3.41Å; L233-L277 PolarHBondContact N-O 3.21Å; I255-L277 HydrophobicContact CD1-CD1 3.69Å; I255-L277 HydrophobicContact CD1-CD2 4.22Å; I255-L277 HydrophobicContact CG1-CD1 4.43Å; I255-L277 HydrophobicContact CG1-CD2 4.05Å; L272-L277 HydrophobicContact CD1-CD2 4.1Å; K273-L277 WeakPolarHBondContact O-CG 3.24Å; K273-L277 PolarHBondContact O-N 2.95Å; E275-L277 VanDerWaalsContact C-N 3.29Å; L277-I285 HydrophobicContact CD2-CG2 4.13Å; L277-I287 HydrophobicContact CD2-CB 4.44Å; L277-I287 HydrophobicContact CD2-CD1 4.2Å; L277-I287 HydrophobicContact CD2-CG1 3.73Å; L277-I287 HydrophobicContact CD2-CG2 4.49Å; L277-V335 HydrophobicContact CD1-CG1 3.7Å; L277-V335 HydrophobicContact CD1-CG2 4.23Å
278	M	96.6	Very high	94.4	Very high	20 Å²	20	18.1 Å²	18.1	10%	0.099	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	158.5	179.5	-62.2	-173.9	78.1	0	0	111.5	V228 G231 E232 I285 K286 T288 F435	V228-M278 HydrophobicContact CB-CB 4.29Å; V228-M278 HydrophobicContact CB-CE 4.32Å; V228-M278 HydrophobicContact CB-SD 4.22Å; V228-M278 HydrophobicContact CG1-CB 3.56Å; V228-M278 HydrophobicContact CG1-CE 4.43Å; V228-M278 HydrophobicContact CG1-SD 4.45Å; V228-M278 VanDerWaalsContact O-CE 3.25Å; V228-M278 WeakPolarHBondContact O-CE 3.48Å; G231-M278 CarbonylContact O-C 3.5Å; G231-M278 WeakPolarHBondContact O-CA 3.42Å; E232-M278 HydrophobicContact CG-CG 4.31Å; M278-I285 CarbonylContact O-C 3.5Å; M278-I285 WeakPolarHBondContact O-CA 3.42Å; M278-K286 PolarHBondContact N-O 3.4Å; M278-K286 PolarHBondContact O-N 3.12Å; M278-T288 HydrophobicContact CB-CG2 4.13Å; M278-T288 HydrophobicContact CG-CG2 3.74Å; M278-T288 HydrophobicContact SD-CG2 3.56Å; M278-T288 VanDerWaalsContact SD-CG2 3.56Å; M278-F435 HydrophobicContact CE-CE1 4.01Å; M278-F435 HydrophobicContact CE-CZ 3.76Å
279	L	96.8	Very high	94	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	137.8	168.9	-61.9	-177.9	0	0	0	110.5	V228 G230 G231 L233 Y251 H284 I285 F422 P424	V228-L279 VanDerWaalsContact CG1-C 3.48Å; V228-L279 WeakPolarHBondContact CG1-O 3.19Å; G230-L279 CarbonylContact C-O 3.51Å; G230-L279 WeakPolarHBondContact CA-O 3.39Å; G230-L279 PolarHBondContact N-O 2.86Å; G231-L279 PolarHBondContact O-N 3.25Å; L233-L279 HydrophobicContact CD2-CD1 4.17Å; L233-L279 HydrophobicContact CD2-CD2 3.82Å; L233-L279 HydrophobicContact CD2-CG 3.97Å; Y251-L279 HydrophobicContact CD1-CD2 4.3Å; Y251-L279 HydrophobicContact CE1-CD2 3.67Å; Y251-L279 WeakPolarHBondContact OH-CD1 3.29Å; L279-H284 CarbonylContact C-O 3.55Å; L279-H284 WeakPolarHBondContact CA-O 3.17Å; L279-I285 HydrophobicContact CD2-CD1 3.82Å; L279-I285 HydrophobicContact CD2-CG1 4.46Å; L279-F422 HydrophobicContact CD1-CD1 3.78Å; L279-F422 HydrophobicContact CD1-CE1 4.03Å; L279-P424 HydrophobicContact CB-CG 4Å; L279-P424 HydrophobicContact CD1-CG 4.16Å
280	D	95	Very high	93.4	Very high	14 Å²	14	21.4 Å²	21.4	8%	0.075	10%	0.104	C	C	.	.			trans	-74.2	174.7	164.5	70.5	23.7	0	0	0	111.4	D282 G283 H284 K286 K416	D280-D282 PolarHBondContact O-N 2.74Å; D280-D282 VanDerWaalsContact O-N 3.08Å; D280-D282 WeakPolarHBondContact OD1-CA 3.4Å; D280-D282 PolarHBondContact OD1-N 3.09Å; D280-G283 PolarHBondContact O-N 3.15Å; D280-G283 VanDerWaalsContact O-N 3.08Å; D280-G283 PolarHBondContact OD1-N 3.28Å; D280-H284 PolarHBondContact N-O 3.09Å; D280-H284 PolarHBondContact OD1-N 2.87Å; D280-K286 HydrophobicContact CB-CG 4.26Å; D280-K416 IonicContact OD2-NZ 3.12Å; D280-K416 PolarHBondContact OD2-NZ 3.33Å
281	K	93.4	Very high	92.5	Very high	110 Å²	110	21.3 Å²	21.3	48%	0.478	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.4	179.9	65.7	178.8	177.9	62.6	0	114.3	K423 V426	K281-K423 WeakPolarHBondContact O-CE 3.26Å; K281-V426 HydrophobicContact CB-CB 4.49Å; K281-V426 HydrophobicContact CB-CG1 4.44Å
282	D	94.4	Very high	91.8	Very high	55 Å²	55	23 Å²	23	29%	0.294	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-14	-178.6	-65.2	-54.7	0	0	0	112.1	D280 P420 K423	D280-D282 PolarHBondContact O-N 2.74Å; D280-D282 VanDerWaalsContact O-N 3.08Å; D280-D282 WeakPolarHBondContact OD1-CA 3.4Å; D280-D282 PolarHBondContact OD1-N 3.09Å; D282-P420 WeakPolarHBondContact O-CG 3.29Å; D282-K423 IonicContact OD1-NZ 3.54Å; D282-K423 PolarHBondContact OD1-NZ 2.89Å
283	G	96.3	Very high	91.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	104.2	14.5	175.1	0	0	0	0	0	114.4	Y251 D280 F422	Y251-G283 WeakPolarHBondContact CE1-O 3.32Å; D280-G283 PolarHBondContact O-N 3.15Å; D280-G283 VanDerWaalsContact O-N 3.08Å; D280-G283 PolarHBondContact OD1-N 3.28Å; G283-F422 WeakPolarHBondContact CA-O 3.31Å
284	H	98	Very high	90.5	Very high	14 Å²	14	25.2 Å²	25.2	7%	0.065	13%	0.127	C	C	.	.			trans	-91.6	151.7	175.5	-64.8	-81.8	0	0	0	111.8	F207 F250 E254 L279 D280 L418 P420	F207-H284 HydrophobicContact CD1-CB 4.31Å; F207-H284 HydrophobicContact CE1-CB 4.03Å; F207-H284 AromaticContact CE1-ND1 3.95Å; F250-H284 AromaticContact CZ-CE1 3.93Å; F250-H284 AromaticContact CZ-ND1 3.72Å; E254-H284 IonicContact OE1-CE1 2.75Å; E254-H284 IonicContact OE1-CG 2.91Å; E254-H284 IonicContact OE1-ND1 2.87Å; E254-H284 PolarHBondContact OE1-ND1 2.7Å; L279-H284 CarbonylContact C-O 3.55Å; L279-H284 WeakPolarHBondContact CA-O 3.17Å; D280-H284 PolarHBondContact N-O 3.09Å; D280-H284 PolarHBondContact OD1-N 2.87Å; H284-L418 PolarHBondContact CE1-O 3.08Å; H284-P420 WeakPolarHBondContact NE2-CG 3.39Å
285	I	98	Very high	89.9	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	140.8	177.4	-65.1	-70.9	0	0	0	111.2	F207 L233 Y251 E254 I255 L277 M278 L279 I287	F207-I285 VanDerWaalsContact CA-O 3.24Å; F207-I285 WeakPolarHBondContact CA-O 3.41Å; F207-I285 WeakPolarHBondContact CB-O 3.27Å; F207-I285 WeakPolarHBondContact CD1-O 3.36Å; L233-I285 HydrophobicContact CD1-CD1 3.62Å; L233-I285 HydrophobicContact CD2-CD1 4.08Å; L233-I285 HydrophobicContact CG-CD1 3.92Å; Y251-I285 HydrophobicContact CD1-CD1 3.78Å; Y251-I285 HydrophobicContact CD1-CG1 3.71Å; Y251-I285 HydrophobicContact CE1-CD1 4.47Å; Y251-I285 HydrophobicContact CG-CD1 3.96Å; Y251-I285 HydrophobicContact CG-CG1 4.19Å; E254-I285 HydrophobicContact CB-CB 4.07Å; E254-I285 HydrophobicContact CB-CG1 4.12Å; E254-I285 WeakPolarHBondContact OE2-CB 3.35Å; E254-I285 VanDerWaalsContact OE2-CG1 3.27Å; E254-I285 WeakPolarHBondContact OE2-CG1 3.39Å; E254-I285 PolarHBondContact OE2-N 2.89Å; I255-I285 HydrophobicContact CG1-CG1 4.48Å; I255-I285 HydrophobicContact CG1-CG2 4.15Å; L277-I285 HydrophobicContact CD2-CG2 4.13Å; M278-I285 CarbonylContact O-C 3.5Å; M278-I285 WeakPolarHBondContact O-CA 3.42Å; L279-I285 HydrophobicContact CD2-CD1 3.82Å; L279-I285 HydrophobicContact CD2-CG1 4.46Å; I285-I287 HydrophobicContact CG2-CG1 4.04Å
286	K	97.2	Very high	89.1	Confident	12 Å²	12	27.3 Å²	27.3	5%	0.052	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	106.2	164.5	-70.2	-69.4	-172	163.9	0	107.7	P206 F207 E226 V228 M278 D280 T288	P206-K286 VanDerWaalsContact O-CE 3.26Å; P206-K286 WeakPolarHBondContact O-CE 3.38Å; P206-K286 PolarHBondContact O-NZ 3.03Å; F207-K286 WeakPolarHBondContact O-CA 3.41Å; E226-K286 VanDerWaalsContact CD-NZ 3.27Å; E226-K286 WeakPolarHBondContact OE1-CE 3.27Å; E226-K286 IonicContact OE1-NZ 3.03Å; E226-K286 PolarHBondContact OE1-NZ 3.26Å; E226-K286 IonicContact OE2-NZ 2.82Å; E226-K286 PolarHBondContact OE2-NZ 3.47Å; V228-K286 HydrophobicContact CB-CB 4.49Å; V228-K286 HydrophobicContact CG1-CB 3.94Å; V228-K286 HydrophobicContact CG1-CG 4.06Å; V228-K286 HydrophobicContact CG2-CB 3.79Å; V228-K286 HydrophobicContact CG2-CG 3.84Å; M278-K286 PolarHBondContact N-O 3.4Å; M278-K286 PolarHBondContact O-N 3.12Å; D280-K286 HydrophobicContact CB-CG 4.26Å; K286-T288 WeakPolarHBondContact O-CG2 3.43Å; K286-T288 PolarHBondContact O-N 3.41Å
287	I	96.9	Very high	88.1	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	128.5	170.5	-49.1	-169.3	0	0	0	107.7	F207 L208 T209 I255 A258 Y269 L272 L277 I285	F207-I287 PolarHBondContact O-N 2.77Å; L208-I287 HydrophobicContact CD2-CB 3.78Å; L208-I287 HydrophobicContact CD2-CD1 4.01Å; L208-I287 HydrophobicContact CD2-CG1 4.07Å; L208-I287 HydrophobicContact CD2-CG2 4.49Å; T209-I287 WeakPolarHBondContact CB-O 3.47Å; T209-I287 PolarHBondContact N-O 2.61Å; T209-I287 PolarHBondContact OG1-O 3.09Å; I255-I287 HydrophobicContact CG2-CD1 4.44Å; A258-I287 HydrophobicContact CB-CD1 3.61Å; A258-I287 HydrophobicContact CB-CG1 4.33Å; Y269-I287 HydrophobicContact CD2-CG2 4.29Å; Y269-I287 HydrophobicContact CE1-CG2 3.91Å; Y269-I287 HydrophobicContact CE2-CG2 3.63Å; Y269-I287 VanDerWaalsContact CZ-CG2 3.43Å; L272-I287 HydrophobicContact CD1-CD1 4.37Å; L277-I287 HydrophobicContact CD2-CB 4.44Å; L277-I287 HydrophobicContact CD2-CD1 4.2Å; L277-I287 HydrophobicContact CD2-CG1 3.73Å; L277-I287 HydrophobicContact CD2-CG2 4.49Å; I285-I287 HydrophobicContact CG2-CG1 4.04Å
288	T	91.8	Very high	86.8	Confident	23 Å²	23	30.6 Å²	30.6	14%	0.141	17%	0.17	C	C	.	.			trans	-114.6	-177.6	-178	72.1	0	0	0	0	110.7	T209 Y269 N276 M278 K286	T209-T288 WeakPolarHBondContact OG1-CG2 3.19Å; Y269-T288 PolarHBondContact OH-O 2.53Å; N276-T288 PolarHBondContact O-N 3.05Å; N276-T288 PolarHBondContact O-OG1 3.37Å; M278-T288 HydrophobicContact CB-CG2 4.13Å; M278-T288 HydrophobicContact CG-CG2 3.74Å; M278-T288 HydrophobicContact SD-CG2 3.56Å; M278-T288 VanDerWaalsContact SD-CG2 3.56Å; K286-T288 WeakPolarHBondContact O-CG2 3.43Å; K286-T288 PolarHBondContact O-N 3.41Å
289	D	83.5	Confident	85.3	Confident	68 Å²	68	35.5 Å²	35.5	36%	0.364	20%	0.197	S	C	.	.			trans	46.2	83.1	174.7	-154.1	12.3	0	0	0	117.1	K177 Y269 G291	K177-D289 IonicContact NZ-OD1 2.76Å; K177-D289 PolarHBondContact NZ-OD1 3.42Å; Y269-D289 PolarHBondContact OH-O 2.81Å; D289-G291 PolarHBondContact O-N 3.17Å
290	F	80.7	Confident	83.4	Confident	3 Å²	3	39.9 Å²	39.9	1%	0.013	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-87.1	13.8	179.4	-65.2	-102.4	0	0	0	112.8	E196 V199 L200 L208 L262 Y269 L292 C293	E196-F290 HydrophobicContact CG-CB 4.21Å; V199-F290 HydrophobicContact CG1-CB 4.46Å; V199-F290 HydrophobicContact CG1-CD1 3.74Å; V199-F290 HydrophobicContact CG1-CE1 4.44Å; V199-F290 HydrophobicContact CG1-CG 4.39Å; L200-F290 HydrophobicContact CD2-CB 4.42Å; L200-F290 HydrophobicContact CD2-CD2 3.44Å; L200-F290 VanDerWaalsContact CD2-CD2 3.44Å; L200-F290 HydrophobicContact CD2-CE2 3.82Å; L200-F290 HydrophobicContact CD2-CG 3.99Å; L200-F290 HydrophobicContact CG-CB 4.31Å; L200-F290 HydrophobicContact CG-CD2 4.22Å; L200-F290 HydrophobicContact CG-CG 4.36Å; L208-F290 HydrophobicContact CB-CZ 4Å; L208-F290 HydrophobicContact CD1-CE1 4.35Å; L208-F290 HydrophobicContact CD1-CZ 4.42Å; L208-F290 HydrophobicContact CD2-CE1 4.14Å; L208-F290 HydrophobicContact CD2-CZ 3.88Å; L208-F290 HydrophobicContact CG-CZ 4.3Å; L262-F290 HydrophobicContact CD1-CE1 4.41Å; L262-F290 HydrophobicContact CD2-CE1 4.36Å; Y269-F290 HydrophobicContact CD2-CD1 4.37Å; Y269-F290 HydrophobicContact CE2-CD1 4.41Å; F290-L292 PolarHBondContact O-N 2.89Å; F290-L292 VanDerWaalsContact O-N 3.16Å; F290-C293 HydrophobicContact CB-CB 4.5Å; F290-C293 VanDerWaalsContact CD1-SG 3.54Å; F290-C293 WeakPolarHBondContact O-CB 3.34Å; F290-C293 PolarHBondContact O-N 3.33Å
291	G	70.8	Confident	81.6	Confident	17 Å²	17	40.8 Å²	40.8	18%	0.175	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-60.9	-25.6	-174.3	0	0	0	0	0	114.2	D289	D289-G291 PolarHBondContact O-N 3.17Å
292	L	74.9	Confident	80.3	Confident	44 Å²	44	38.8 Å²	38.8	23%	0.23	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-101.1	7.2	177.8	-64.3	-177.2	0	0	0	113.7	Y269 R270 D271 F290 C307	Y269-L292 CarbonylContact O-C 3.58Å; R270-L292 PolarHBondContact NE-O 3.25Å; R270-L292 PolarHBondContact NH2-O 3.17Å; D271-L292 HydrophobicContact CB-CB 4.1Å; D271-L292 HydrophobicContact CB-CD1 3.74Å; D271-L292 HydrophobicContact CB-CG 4.38Å; F290-L292 PolarHBondContact O-N 2.89Å; F290-L292 VanDerWaalsContact O-N 3.16Å; L292-C307 HydrophobicContact CD1-CB 4.26Å; L292-C307 HydrophobicContact CD2-CB 3.95Å
293	C	81.4	Confident	79	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.007	23%	0.228	C	C	.	.			trans	-64.9	149.4	177.4	-72.1	0	0	0	0	112.7	V199 I267 V268 F290	V199-C293 HydrophobicContact CG1-CB 4.45Å; V199-C293 HydrophobicContact CG2-CB 4.23Å; I267-C293 HydrophobicContact CG2-CB 4.13Å; V268-C293 CarbonylContact O-C 3.57Å; V268-C293 VanDerWaalsContact O-CA 3.28Å; V268-C293 WeakPolarHBondContact O-CA 3.41Å; F290-C293 HydrophobicContact CB-CB 4.5Å; F290-C293 VanDerWaalsContact CD1-SG 3.54Å; F290-C293 WeakPolarHBondContact O-CB 3.34Å; F290-C293 PolarHBondContact O-N 3.33Å
294	K	80.2	Confident	77.4	Confident	77 Å²	77	40.3 Å²	40.3	34%	0.335	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	125.8	172.5	-172	72.9	171.6	-175.2	0	111.2	I267 V268 I297 M303	I267-K294 VanDerWaalsContact CA-O 3.31Å; I267-K294 WeakPolarHBondContact CA-O 3.31Å; V268-K294 PolarHBondContact N-O 3.24Å; V268-K294 PolarHBondContact O-N 3.25Å; K294-I297 HydrophobicContact CB-CG1 4.43Å; K294-I297 HydrophobicContact CG-CD1 3.94Å; K294-I297 HydrophobicContact CG-CG1 4.03Å; K294-M303 HydrophobicContact CB-SD 3.39Å; K294-M303 WeakPolarHBondContact CB-SD 3.44Å; K294-M303 HydrophobicContact CG-CG 4.09Å; K294-M303 HydrophobicContact CG-SD 3.43Å; K294-M303 WeakPolarHBondContact CG-SD 3.23Å
295	E	81	Confident	76	Confident	52 Å²	52	42.2 Å²	42.2	24%	0.243	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	160.2	173.1	-63.5	175.9	109.3	0	0	111.8	T195 R198 V199 K266 I267	T195-E295 HydrophobicContact CG2-CG 3.99Å; R198-E295 IonicContact CZ-OE2 3.58Å; R198-E295 VanDerWaalsContact CZ-OE2 3.3Å; R198-E295 IonicContact NE-OE2 3.92Å; R198-E295 PolarHBondContact NE-OE2 3.45Å; R198-E295 IonicContact NH2-OE2 2.67Å; R198-E295 PolarHBondContact NH2-OE2 3.01Å; V199-E295 HydrophobicContact CG2-CG 3.55Å; K266-E295 CarbonylContact O-C 3.49Å; K266-E295 WeakPolarHBondContact O-CA 3.45Å; I267-E295 HydrophobicContact CG1-CG 4.12Å
296	G	75.4	Confident	74.8	Confident	51 Å²	51	44.9 Å²	44.9	53%	0.526	27%	0.268	S	S	.	.			trans	84	14.8	170.8	0	0	0	0	0	114.4	K266 T298	K266-G296 PolarHBondContact O-N 2.84Å; G296-T298 PolarHBondContact O-N 2.63Å
297	I	72.2	Confident	73.5	Confident	16 Å²	16	45.2 Å²	45.2	8%	0.082	27%	0.272	C	S	.	.			trans	-85.5	106.3	178.7	-55.7	-51.2	0	0	0	109.1	K266 V268 K294 A301 M303	K266-I297 WeakPolarHBondContact CB-O 3.48Å; K266-I297 WeakPolarHBondContact CD-O 3.39Å; K266-I297 PolarHBondContact O-N 3.44Å; V268-I297 HydrophobicContact CG2-CB 3.85Å; V268-I297 HydrophobicContact CG2-CG1 3.94Å; V268-I297 HydrophobicContact CG2-CG2 3.79Å; K294-I297 HydrophobicContact CB-CG1 4.43Å; K294-I297 HydrophobicContact CG-CD1 3.94Å; K294-I297 HydrophobicContact CG-CG1 4.03Å; I297-A301 WeakPolarHBondContact CG2-O 3.25Å; I297-M303 HydrophobicContact CD1-CE 4.46Å; I297-M303 HydrophobicContact CD1-CG 3.3Å; I297-M303 HydrophobicContact CD1-SD 3.85Å; I297-M303 HydrophobicContact CG1-CE 4.21Å; I297-M303 HydrophobicContact CG1-CG 4.03Å; I297-M303 HydrophobicContact CG1-SD 3.92Å
298	T	68	Low	72.4	Confident	65 Å²	65	46.4 Å²	46.4	40%	0.399	28%	0.284	S	S	.	.			trans	-101.6	174.9	171.1	63.2	0	0	0	0	109.6	K266 G296 A300 A301	K266-T298 HydrophobicContact CD-CG2 4.43Å; G296-T298 PolarHBondContact O-N 2.63Å; T298-A300 PolarHBondContact O-N 2.94Å; T298-A301 PolarHBondContact O-N 2.87Å; T298-A301 WeakPolarHBondContact OG1-CB 3.46Å; T298-A301 PolarHBondContact OG1-N 2.78Å
299	D	65.5	Low	71.9	Confident	123 Å²	123	46.7 Å²	46.7	66%	0.658	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-18.9	-179.5	-51	-37.9	0	0	0	112.8	R325	D299-R325 IonicContact OD1-CZ 3.61Å; D299-R325 IonicContact OD1-NH1 2.73Å; D299-R325 PolarHBondContact OD1-NH1 3.21Å; D299-R325 IonicContact OD1-NH2 2.79Å; D299-R325 PolarHBondContact OD1-NH2 3.33Å
300	A	57.6	Low	72	Confident	92 Å²	92	44.9 Å²	44.9	76%	0.76	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.5	-16.7	175.8	0	0	0	0	0	114	T298	T298-A300 PolarHBondContact O-N 2.94Å
301	A	57	Low	72.4	Confident	34 Å²	34	46.7 Å²	46.7	28%	0.281	29%	0.287	S	S	.	.			trans	-96.4	123.3	-176.2	0	0	0	0	0	110.2	I297 T298	I297-A301 WeakPolarHBondContact CG2-O 3.25Å; T298-A301 PolarHBondContact O-N 2.87Å; T298-A301 WeakPolarHBondContact OG1-CB 3.46Å; T298-A301 PolarHBondContact OG1-N 2.78Å
302	T	65.8	Low	73.5	Confident	68 Å²	68	46.8 Å²	46.8	42%	0.417	28%	0.282	S	S	.	.			trans	-116.8	163.8	-177.2	53.8	0	0	0	0	111.7	D322 Y323	T302-D322 VanDerWaalsContact CB-CB 3.47Å; T302-D322 HydrophobicContact CG2-CB 3.98Å; T302-D322 WeakPolarHBondContact OG1-CB 3.35Å; T302-D322 PolarHBondContact OG1-OD1 2.78Å; T302-Y323 WeakPolarHBondContact CA-O 3.33Å
303	M	67.3	Low	74.3	Confident	7 Å²	7	45 Å²	45	3%	0.034	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-116.4	154.2	-179.4	-54.9	-179.1	-85.4	0	0	110.9	V268 R270 K294 I297 D322 Y323	V268-M303 HydrophobicContact CB-CE 3.89Å; V268-M303 HydrophobicContact CG1-CE 3.93Å; V268-M303 HydrophobicContact CG2-CE 3.96Å; R270-M303 HydrophobicContact CG-CE 4.34Å; K294-M303 HydrophobicContact CB-SD 3.39Å; K294-M303 WeakPolarHBondContact CB-SD 3.44Å; K294-M303 HydrophobicContact CG-CG 4.09Å; K294-M303 HydrophobicContact CG-SD 3.43Å; K294-M303 WeakPolarHBondContact CG-SD 3.23Å; I297-M303 HydrophobicContact CD1-CE 4.46Å; I297-M303 HydrophobicContact CD1-CG 3.3Å; I297-M303 HydrophobicContact CD1-SD 3.85Å; I297-M303 HydrophobicContact CG1-CE 4.21Å; I297-M303 HydrophobicContact CG1-CG 4.03Å; I297-M303 HydrophobicContact CG1-SD 3.92Å; M303-D322 CarbonylContact O-C 3.54Å; M303-D322 WeakPolarHBondContact O-CA 3.18Å; M303-Y323 HydrophobicContact CB-CD2 4.31Å; M303-Y323 HydrophobicContact CB-CE1 4.23Å; M303-Y323 HydrophobicContact CB-CE2 3.97Å; M303-Y323 HydrophobicContact CE-CD2 3.67Å; M303-Y323 HydrophobicContact CE-CE2 3.38Å; M303-Y323 PolarHBondContact N-O 3.32Å; M303-Y323 VanDerWaalsContact O-CD1 3.27Å; M303-Y323 WeakPolarHBondContact O-CD1 3.44Å; M303-Y323 PolarHBondContact O-N 2.84Å; M303-Y323 HydrophobicContact SD-CE2 4.15Å
304	K	63.1	Low	74.8	Confident	79 Å²	79	45 Å²	45	34%	0.343	27%	0.273	S	S	.	.			trans	-122.2	-6.5	176.8	-62.1	-177	179.6	172.8	0	114.4	N53 F306 D322	N53-K304 PolarHBondContact O-NZ 2.83Å; K304-F306 PolarHBondContact O-N 2.77Å; K304-D322 WeakPolarHBondContact CE-OD1 3.29Å; K304-D322 WeakPolarHBondContact CE-OD2 3.19Å; K304-D322 WeakPolarHBondContact CG-OD1 3.4Å; K304-D322 IonicContact NZ-OD2 2.69Å; K304-D322 PolarHBondContact NZ-OD2 2.76Å
305	T	68.1	Low	75.4	Confident	54 Å²	54	41.5 Å²	41.5	33%	0.331	26%	0.258	S	S	.	.			trans	-69.1	124.7	-172.7	-50.2	0	0	0	0	110.6	C307 Y323	T305-C307 HydrophobicContact CG2-CB 4.46Å; T305-C307 PolarHBondContact O-N 2.87Å; T305-Y323 WeakPolarHBondContact O-CE1 3.3Å; T305-Y323 PolarHBondContact O-OH 2.94Å
306	F	72.5	Confident	75.8	Confident	56 Å²	56	39.3 Å²	39.3	25%	0.246	25%	0.247	C	C	.	.			trans	-80.2	110.3	170.6	-173.3	-90.2	0	0	0	110	Y18 K304 L313 V317 L318 F355	Y18-F306 HydrophobicContact CD1-CD1 4.1Å; Y18-F306 HydrophobicContact CD1-CD2 4.4Å; Y18-F306 HydrophobicContact CD1-CE1 4.04Å; Y18-F306 HydrophobicContact CD1-CE2 4.31Å; Y18-F306 HydrophobicContact CD1-CG 4.29Å; Y18-F306 HydrophobicContact CD1-CZ 4.14Å; Y18-F306 HydrophobicContact CD2-CB 4.41Å; Y18-F306 HydrophobicContact CD2-CD1 4.46Å; Y18-F306 AromaticContact CD2-CD2 3.4Å; Y18-F306 HydrophobicContact CD2-CD2 3.4Å; Y18-F306 AromaticContact CD2-CE2 3.61Å; Y18-F306 HydrophobicContact CD2-CE2 3.61Å; Y18-F306 AromaticContact CD2-CG 3.86Å; Y18-F306 HydrophobicContact CD2-CG 3.86Å; Y18-F306 HydrophobicContact CD2-CZ 4.26Å; Y18-F306 HydrophobicContact CE1-CB 4.23Å; Y18-F306 AromaticContact CE1-CD1 3.72Å; Y18-F306 HydrophobicContact CE1-CD1 3.72Å; Y18-F306 HydrophobicContact CE1-CD2 4.34Å; Y18-F306 HydrophobicContact CE1-CE1 4.11Å; Y18-F306 AromaticContact CE1-CG 3.85Å; Y18-F306 HydrophobicContact CE1-CG 3.85Å; Y18-F306 HydrophobicContact CE2-CB 3.48Å; Y18-F306 VanDerWaalsContact CE2-CB 3.48Å; Y18-F306 HydrophobicContact CE2-CD1 4.13Å; Y18-F306 AromaticContact CE2-CD2 3.34Å; Y18-F306 HydrophobicContact CE2-CD2 3.34Å; Y18-F306 HydrophobicContact CE2-CE2 4.03Å; Y18-F306 AromaticContact CE2-CG 3.39Å; Y18-F306 HydrophobicContact CE2-CG 3.39Å; Y18-F306 HydrophobicContact CG-CD1 4.46Å; Y18-F306 AromaticContact CG-CD2 3.96Å; Y18-F306 HydrophobicContact CG-CD2 3.96Å; Y18-F306 HydrophobicContact CG-CE1 4.32Å; Y18-F306 AromaticContact CG-CE2 3.78Å; Y18-F306 HydrophobicContact CG-CE2 3.78Å; Y18-F306 HydrophobicContact CG-CG 4.29Å; Y18-F306 AromaticContact CG-CZ 3.98Å; Y18-F306 HydrophobicContact CG-CZ 3.98Å; Y18-F306 AromaticContact CZ-CD1 3.74Å; Y18-F306 AromaticContact CZ-CD2 3.85Å; Y18-F306 AromaticContact CZ-CG 3.38Å; Y18-F306 WeakPolarHBondContact OH-CB 3.19Å; K304-F306 PolarHBondContact O-N 2.77Å; F306-L313 HydrophobicContact CE1-CD1 4.13Å; F306-L313 HydrophobicContact CE2-CD1 3.91Å; F306-L313 HydrophobicContact CZ-CD1 3.49Å; F306-L313 VanDerWaalsContact CZ-CD1 3.49Å; F306-V317 HydrophobicContact CD2-CG1 3.93Å; F306-V317 HydrophobicContact CE2-CG1 4.42Å; F306-L318 HydrophobicContact CE2-CD2 3.77Å; F306-L318 HydrophobicContact CZ-CD2 4.18Å; F306-F355 HydrophobicContact CZ-CE2 4.42Å; F306-F355 HydrophobicContact CZ-CZ 4.12Å
307	C	71	Confident	76.3	Confident	20 Å²	20	37.3 Å²	37.3	14%	0.135	23%	0.225	C	C	.	.			trans	-155.3	157.1	178.2	61.6	0	0	0	0	111.1	R270 L292 T305 L313	R270-C307 VanDerWaalsContact CZ-SG 3.51Å; R270-C307 PolarHBondContact NH1-SG 3.13Å; L292-C307 HydrophobicContact CD1-CB 4.26Å; L292-C307 HydrophobicContact CD2-CB 3.95Å; T305-C307 HydrophobicContact CG2-CB 4.46Å; T305-C307 PolarHBondContact O-N 2.87Å; C307-L313 WeakPolarHBondContact O-CD2 3.48Å
308	G	72.8	Confident	76.9	Confident	24 Å²	24	36.8 Å²	36.8	25%	0.247	22%	0.222	C	C	.	.	S	Bend	trans	122.4	170	-178.8	0	0	0	0	0	111.9
309	T	80.6	Confident	77.4	Confident	29 Å²	29	36.3 Å²	36.3	18%	0.178	22%	0.216	C	C	.	.			trans	-74.2	126.8	173.7	-68.3	0	0	0	0	110.4	K273 E311 Y312 L313	K273-T309 HydrophobicContact CD-CG2 4.47Å; K273-T309 WeakPolarHBondContact CD-OG1 3.38Å; K273-T309 PolarHBondContact NZ-OG1 2.85Å; T309-E311 VanDerWaalsContact C-N 3.26Å; T309-E311 WeakPolarHBondContact CG2-OE2 3.49Å; T309-E311 PolarHBondContact O-N 3.48Å; T309-Y312 HydrophobicContact CG2-CD2 3.77Å; T309-Y312 HydrophobicContact CG2-CE2 4.22Å; T309-Y312 PolarHBondContact O-N 2.82Å; T309-L313 PolarHBondContact O-N 3.4Å
310	P	85.7	Confident	77.5	Confident	31 Å²	31	31.3 Å²	31.3	20%	0.201	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-46.1	-41.8	-172.3	-33.2	37.5	0	0	0	115.9	Y312 L313 L354 F355	P310-Y312 VanDerWaalsContact C-N 3.25Å; P310-Y312 PolarHBondContact O-N 2.93Å; P310-L313 PolarHBondContact O-N 2.76Å; P310-L354 HydrophobicContact CB-CD2 4Å; P310-F355 HydrophobicContact CB-CE1 3.87Å; P310-F355 HydrophobicContact CB-CZ 4.23Å
311	E	90.4	Very high	78	Confident	40 Å²	40	27.5 Å²	27.5	19%	0.187	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-69.7	-20.5	-177.1	-62.6	83.3	174	0	0	113.7	T309 L344 Y347 L354	T309-E311 VanDerWaalsContact C-N 3.26Å; T309-E311 WeakPolarHBondContact CG2-OE2 3.49Å; T309-E311 PolarHBondContact O-N 3.48Å; E311-L344 HydrophobicContact CB-CD1 3.7Å; E311-L344 HydrophobicContact CB-CD2 4.18Å; E311-L344 HydrophobicContact CG-CD1 3.68Å; E311-Y347 HydrophobicContact CG-CD2 4.39Å; E311-L354 HydrophobicContact CG-CD2 4Å
312	Y	93.6	Very high	78.7	Confident	20 Å²	20	27.9 Å²	27.9	8%	0.078	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-107	-3.1	-178.3	-64.6	-98.3	0	0	0	112.5	L272 K273 L274 T309 P310 A314 W330 V334 V335 E338 L344	L272-Y312 WeakPolarHBondContact O-CD1 3.44Å; K273-Y312 HydrophobicContact CB-CD1 4.07Å; K273-Y312 HydrophobicContact CB-CD2 3.88Å; K273-Y312 HydrophobicContact CB-CE1 3.86Å; K273-Y312 HydrophobicContact CB-CE2 3.65Å; K273-Y312 HydrophobicContact CB-CG 4.06Å; L274-Y312 PolarHBondContact N-OH 2.86Å; T309-Y312 HydrophobicContact CG2-CD2 3.77Å; T309-Y312 HydrophobicContact CG2-CE2 4.22Å; T309-Y312 PolarHBondContact O-N 2.82Å; P310-Y312 VanDerWaalsContact C-N 3.25Å; P310-Y312 PolarHBondContact O-N 2.93Å; Y312-A314 PolarHBondContact O-N 3.37Å; Y312-W330 VanDerWaalsContact O-CD1 3.24Å; Y312-W330 PolarHBondContact O-NE1 3.5Å; Y312-V334 HydrophobicContact CD1-CB 3.88Å; Y312-V334 HydrophobicContact CD1-CG1 3.38Å; Y312-V334 HydrophobicContact CE1-CB 4.39Å; Y312-V334 HydrophobicContact CE1-CG1 3.65Å; Y312-V334 HydrophobicContact CG-CG1 4.06Å; Y312-V335 HydrophobicContact CD1-CG2 4.1Å; Y312-V335 HydrophobicContact CE1-CG2 3.65Å; Y312-E338 PolarHBondContact OH-OE2 3.2Å; Y312-L344 HydrophobicContact CE1-CD2 4.46Å; Y312-L344 HydrophobicContact CE2-CD2 4.24Å
313	L	91.9	Very high	79.4	Confident	6 Å²	6	25 Å²	25	3%	0.031	14%	0.135	C	C	.	.			trans	-64.1	133.3	-178.7	-69.6	179.8	0	0	0	111.5	F306 C307 T309 P310 V317 L318 W330 F355	F306-L313 HydrophobicContact CE1-CD1 4.13Å; F306-L313 HydrophobicContact CE2-CD1 3.91Å; F306-L313 HydrophobicContact CZ-CD1 3.49Å; F306-L313 VanDerWaalsContact CZ-CD1 3.49Å; C307-L313 WeakPolarHBondContact O-CD2 3.48Å; T309-L313 PolarHBondContact O-N 3.4Å; P310-L313 PolarHBondContact O-N 2.76Å; L313-V317 HydrophobicContact CD2-CG1 4.22Å; L313-L318 HydrophobicContact CB-CD2 3.97Å; L313-L318 HydrophobicContact CB-CG 4.42Å; L313-L318 HydrophobicContact CD1-CD2 3.68Å; L313-L318 HydrophobicContact CG-CD2 4.48Å; L313-W330 PolarHBondContact O-NE1 3.24Å; L313-F355 HydrophobicContact CD1-CE1 4.09Å; L313-F355 HydrophobicContact CD1-CZ 4.42Å
314	A	92.3	Very high	80.3	Confident	2 Å²	2	25.8 Å²	25.8	2%	0.017	14%	0.144	C	C	.	.			trans	-73.7	147.8	174.3	0	0	0	0	0	111.1	Y312 E316 V317 L318 V327 W330	Y312-A314 PolarHBondContact O-N 3.37Å; A314-E316 VanDerWaalsContact C-N 3.27Å; A314-E316 HydrophobicContact CB-CG 4.45Å; A314-E316 WeakPolarHBondContact CB-OE2 3.28Å; A314-E316 PolarHBondContact O-N 3.47Å; A314-V317 HydrophobicContact CB-CG2 4.27Å; A314-V317 WeakPolarHBondContact O-CB 3.33Å; A314-V317 PolarHBondContact O-N 3.1Å; A314-L318 PolarHBondContact O-N 3.32Å; A314-V327 HydrophobicContact CB-CB 4.19Å; A314-V327 HydrophobicContact CB-CG1 3.99Å; A314-W330 VanDerWaalsContact CA-CD1 3.47Å; A314-W330 HydrophobicContact CB-CB 3.77Å; A314-W330 HydrophobicContact CB-CD2 4.23Å; A314-W330 HydrophobicContact CB-CG 3.63Å
315	P	92	Very high	81.6	Confident	3 Å²	3	23.9 Å²	23.9	2%	0.019	14%	0.135	C	C	.	.	H	α-helix	trans	-49.2	-44.9	179.3	-32.5	38.7	0	0	0	113.7	V317 L318 E319 W330 I358 L359 K383	P315-V317 VanDerWaalsContact C-N 3.26Å; P315-V317 PolarHBondContact O-N 3.26Å; P315-L318 WeakPolarHBondContact O-CA 3.41Å; P315-L318 WeakPolarHBondContact O-CB 3.37Å; P315-L318 PolarHBondContact O-N 3.16Å; P315-E319 VanDerWaalsContact O-CG 3.3Å; P315-E319 WeakPolarHBondContact O-CG 3.19Å; P315-E319 PolarHBondContact O-N 3.18Å; P315-W330 HydrophobicContact CG-CE3 4.16Å; P315-W330 HydrophobicContact CG-CH2 3.64Å; P315-W330 HydrophobicContact CG-CZ2 4.11Å; P315-W330 HydrophobicContact CG-CZ3 3.67Å; P315-I358 HydrophobicContact CB-CG2 4.47Å; P315-I358 HydrophobicContact CG-CG2 3.82Å; P315-L359 HydrophobicContact CB-CD2 3.85Å; P315-K383 HydrophobicContact CB-CB 4.34Å; P315-K383 HydrophobicContact CG-CB 4.1Å; P315-K383 HydrophobicContact CG-CG 4.3Å
316	E	89.3	Confident	82.9	Confident	5 Å²	5	21.8 Å²	21.8	2%	0.023	12%	0.123	C	C	.	.	H	α-helix	trans	-64.2	-27.3	-178	64.1	-87.7	-152.9	0	0	113.8	A314 E319 N321 V327 P385 R388	A314-E316 VanDerWaalsContact C-N 3.27Å; A314-E316 HydrophobicContact CB-CG 4.45Å; A314-E316 WeakPolarHBondContact CB-OE2 3.28Å; A314-E316 PolarHBondContact O-N 3.47Å; E316-E319 PolarHBondContact O-N 2.83Å; E316-N321 PolarHBondContact O-N 3.25Å; E316-V327 HydrophobicContact CG-CG1 4.05Å; E316-V327 WeakPolarHBondContact OE1-CG1 3.42Å; E316-P385 HydrophobicContact CB-CG 4.27Å; E316-P385 HydrophobicContact CG-CG 4.33Å; E316-R388 IonicContact OE1-CZ 2.74Å; E316-R388 IonicContact OE1-NH1 2.79Å; E316-R388 PolarHBondContact OE1-NH1 2.67Å; E316-R388 IonicContact OE1-NH2 3.21Å; E316-R388 PolarHBondContact OE1-NH2 3.35Å; E316-R388 IonicContact OE2-CZ 3.42Å; E316-R388 IonicContact OE2-NH1 3.11Å; E316-R388 IonicContact OE2-NH2 3.45Å; E316-R388 PolarHBondContact OE2-NH2 3.33Å
317	V	86.7	Confident	83.9	Confident	9 Å²	9	19.7 Å²	19.7	6%	0.055	11%	0.114	C	C	.	.	H	α-helix	trans	-70.4	-37.7	173.2	-176.5	0	0	0	0	110.1	F306 L313 A314 P315 E319 Y323 V327	F306-V317 HydrophobicContact CD2-CG1 3.93Å; F306-V317 HydrophobicContact CE2-CG1 4.42Å; L313-V317 HydrophobicContact CD2-CG1 4.22Å; A314-V317 HydrophobicContact CB-CG2 4.27Å; A314-V317 WeakPolarHBondContact O-CB 3.33Å; A314-V317 PolarHBondContact O-N 3.1Å; P315-V317 VanDerWaalsContact C-N 3.26Å; P315-V317 PolarHBondContact O-N 3.26Å; V317-E319 VanDerWaalsContact C-N 3.34Å; V317-Y323 HydrophobicContact CB-CE1 4.48Å; V317-Y323 HydrophobicContact CG1-CE1 4.24Å; V317-Y323 HydrophobicContact CG2-CD1 4Å; V317-Y323 HydrophobicContact CG2-CD2 4.2Å; V317-Y323 HydrophobicContact CG2-CE1 4.01Å; V317-Y323 HydrophobicContact CG2-CE2 4.19Å; V317-Y323 HydrophobicContact CG2-CG 4.11Å; V317-V327 HydrophobicContact CG2-CG1 3.78Å
318	L	84.7	Confident	85.1	Confident	5 Å²	5	18.8 Å²	18.8	3%	0.026	11%	0.108	C	C	.	.	H	α-helix	trans	-73.8	-25.4	177.7	-54.1	179	0	0	0	113	I19 F306 L313 A314 P315 D320 F355 I358 L359	I19-L318 HydrophobicContact CD1-CB 4.43Å; F306-L318 HydrophobicContact CE2-CD2 3.77Å; F306-L318 HydrophobicContact CZ-CD2 4.18Å; L313-L318 HydrophobicContact CB-CD2 3.97Å; L313-L318 HydrophobicContact CB-CG 4.42Å; L313-L318 HydrophobicContact CD1-CD2 3.68Å; L313-L318 HydrophobicContact CG-CD2 4.48Å; A314-L318 PolarHBondContact O-N 3.32Å; P315-L318 WeakPolarHBondContact O-CA 3.41Å; P315-L318 WeakPolarHBondContact O-CB 3.37Å; P315-L318 PolarHBondContact O-N 3.16Å; L318-D320 VanDerWaalsContact C-N 3.26Å; L318-D320 PolarHBondContact O-N 3.43Å; L318-F355 HydrophobicContact CD1-CB 3.94Å; L318-F355 HydrophobicContact CD1-CD1 3.98Å; L318-F355 HydrophobicContact CD1-CG 4.2Å; L318-F355 HydrophobicContact CD2-CB 4.47Å; L318-F355 HydrophobicContact CD2-CD1 3.6Å; L318-F355 HydrophobicContact CD2-CD2 4.42Å; L318-F355 HydrophobicContact CD2-CE1 3.84Å; L318-F355 HydrophobicContact CD2-CG 3.93Å; L318-F355 HydrophobicContact CD2-CZ 4.36Å; L318-F355 HydrophobicContact CG-CD1 4.46Å; L318-I358 HydrophobicContact CD1-CB 3.86Å; L318-I358 HydrophobicContact CD1-CD1 4.16Å; L318-I358 HydrophobicContact CD1-CG2 3.6Å; L318-L359 HydrophobicContact CB-CD2 4.17Å; L318-L359 HydrophobicContact CB-CG 4.44Å; L318-L359 HydrophobicContact CD1-CD2 4.38Å; L318-L359 HydrophobicContact CD1-CG 4.24Å
319	E	78.7	Confident	86.3	Confident	56 Å²	56	17.6 Å²	17.6	26%	0.262	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-4.2	178.8	-62.1	-146.1	102.1	0	0	114.1	R23 R25 P315 E316 V317 N321 L359	R23-E319 VanDerWaalsContact NH1-CG 3.26Å; R23-E319 IonicContact NH1-OE1 3.59Å; R23-E319 PolarHBondContact NH1-OE1 3.31Å; R25-E319 IonicContact NH2-OE1 3.92Å; P315-E319 VanDerWaalsContact O-CG 3.3Å; P315-E319 WeakPolarHBondContact O-CG 3.19Å; P315-E319 PolarHBondContact O-N 3.18Å; E316-E319 PolarHBondContact O-N 2.83Å; V317-E319 VanDerWaalsContact C-N 3.34Å; E319-N321 VanDerWaalsContact CB-ND2 3.28Å; E319-N321 WeakPolarHBondContact CB-ND2 3.39Å; E319-N321 PolarHBondContact O-N 2.78Å; E319-N321 PolarHBondContact OE2-ND2 3.05Å; E319-L359 HydrophobicContact CG-CD2 3.66Å
320	D	67.1	Low	87.1	Confident	17 Å²	17	16.3 Å²	16.3	9%	0.091	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	38.4	-172.2	-177	45.1	0	0	0	110.9	K14 N52 R85 L318	K14-D320 IonicContact NZ-OD2 2.84Å; K14-D320 PolarHBondContact NZ-OD2 3.38Å; N52-D320 PolarHBondContact ND2-O 3.27Å; R85-D320 IonicContact CZ-OD2 3.46Å; R85-D320 IonicContact NE-OD2 3.85Å; R85-D320 IonicContact NH2-OD1 2.67Å; R85-D320 PolarHBondContact NH2-OD1 2.87Å; R85-D320 VanDerWaalsContact NH2-OD1 3.17Å; R85-D320 IonicContact NH2-OD2 3.18Å; R85-D320 PolarHBondContact NH2-OD2 3.31Å; L318-D320 VanDerWaalsContact C-N 3.26Å; L318-D320 PolarHBondContact O-N 3.43Å
321	N	66.6	Low	87.7	Confident	13 Å²	13	15 Å²	15	7%	0.07	8%	0.081	C	C	.	.			trans	-91.8	152.7	171.8	-62.2	-27.6	0	0	0	109.1	L51 E316 E319 Y323	L51-N321 WeakPolarHBondContact CB-OD1 3.04Å; L51-N321 WeakPolarHBondContact O-CA 3.35Å; L51-N321 PolarHBondContact O-OD1 3.38Å; E316-N321 PolarHBondContact O-N 3.25Å; E319-N321 VanDerWaalsContact CB-ND2 3.28Å; E319-N321 WeakPolarHBondContact CB-ND2 3.39Å; E319-N321 PolarHBondContact O-N 2.78Å; E319-N321 PolarHBondContact OE2-ND2 3.05Å; N321-Y323 PolarHBondContact O-N 3.09Å
322	D	72.2	Confident	88	Confident	42 Å²	42	13.1 Å²	13.1	23%	0.225	7%	0.072	C	C	.	.			trans	-56.7	118.7	162.6	-93	-48.5	0	0	0	109.7	T302 M303 K304	T302-D322 VanDerWaalsContact CB-CB 3.47Å; T302-D322 HydrophobicContact CG2-CB 3.98Å; T302-D322 WeakPolarHBondContact OG1-CB 3.35Å; T302-D322 PolarHBondContact OG1-OD1 2.78Å; M303-D322 CarbonylContact O-C 3.54Å; M303-D322 WeakPolarHBondContact O-CA 3.18Å; K304-D322 WeakPolarHBondContact CE-OD1 3.29Å; K304-D322 WeakPolarHBondContact CE-OD2 3.19Å; K304-D322 WeakPolarHBondContact CG-OD1 3.4Å; K304-D322 IonicContact NZ-OD2 2.69Å; K304-D322 PolarHBondContact NZ-OD2 2.76Å
323	Y	80.4	Confident	88.3	Confident	8 Å²	8	12.2 Å²	12.2	3%	0.031	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-124.1	152.8	-176.4	69	-96.4	0	0	0	113	R270 T302 M303 T305 V317 N321 V327	R270-Y323 PolarHBondContact NH1-OH 3.04Å; R270-Y323 VanDerWaalsContact NH1-OH 3.13Å; T302-Y323 WeakPolarHBondContact CA-O 3.33Å; M303-Y323 HydrophobicContact CB-CD2 4.31Å; M303-Y323 HydrophobicContact CB-CE1 4.23Å; M303-Y323 HydrophobicContact CB-CE2 3.97Å; M303-Y323 HydrophobicContact CE-CD2 3.67Å; M303-Y323 HydrophobicContact CE-CE2 3.38Å; M303-Y323 PolarHBondContact N-O 3.32Å; M303-Y323 VanDerWaalsContact O-CD1 3.27Å; M303-Y323 WeakPolarHBondContact O-CD1 3.44Å; M303-Y323 PolarHBondContact O-N 2.84Å; M303-Y323 HydrophobicContact SD-CE2 4.15Å; T305-Y323 WeakPolarHBondContact O-CE1 3.3Å; T305-Y323 PolarHBondContact O-OH 2.94Å; V317-Y323 HydrophobicContact CB-CE1 4.48Å; V317-Y323 HydrophobicContact CG1-CE1 4.24Å; V317-Y323 HydrophobicContact CG2-CD1 4Å; V317-Y323 HydrophobicContact CG2-CD2 4.2Å; V317-Y323 HydrophobicContact CG2-CE1 4.01Å; V317-Y323 HydrophobicContact CG2-CE2 4.19Å; V317-Y323 HydrophobicContact CG2-CG 4.11Å; N321-Y323 PolarHBondContact O-N 3.09Å; Y323-V327 HydrophobicContact CD2-CB 4.44Å; Y323-V327 HydrophobicContact CD2-CG1 3.4Å; Y323-V327 VanDerWaalsContact CD2-CG1 3.4Å; Y323-V327 HydrophobicContact CD2-CG2 4.2Å; Y323-V327 HydrophobicContact CE2-CG1 4.06Å; Y323-V327 HydrophobicContact CE2-CG2 4.29Å; Y323-V327 HydrophobicContact CG-CG1 4.01Å
324	G	86.5	Confident	88.6	Confident	22 Å²	22	12 Å²	12	23%	0.227	7%	0.067	C	C	.	.			trans	-120.1	-154.4	-176.2	0	0	0	0	0	113	A326 V327	G324-A326 PolarHBondContact O-N 3.2Å; G324-V327 WeakPolarHBondContact O-CG2 3.15Å
325	R	91.6	Very high	88.9	Confident	40 Å²	40	11.9 Å²	11.9	15%	0.151	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.9	-177.6	71	-174.5	-178.9	-138.7	-3.1	115.3	H263 V268 D299 V327 D328 G392 P393 D395	H263-R325 PolarHBondContact CE1-O 2.79Å; V268-R325 HydrophobicContact CG2-CB 3.86Å; D299-R325 IonicContact OD1-CZ 3.61Å; D299-R325 IonicContact OD1-NH1 2.73Å; D299-R325 PolarHBondContact OD1-NH1 3.21Å; D299-R325 IonicContact OD1-NH2 2.79Å; D299-R325 PolarHBondContact OD1-NH2 3.33Å; R325-V327 PolarHBondContact O-N 2.77Å; R325-D328 PolarHBondContact O-N 3.37Å; R325-D328 VanDerWaalsContact O-N 3.09Å; R325-G392 PolarHBondContact NH2-O 2.91Å; R325-P393 PolarHBondContact NH2-O 2.89Å; R325-D395 WeakPolarHBondContact CD-OD1 3.29Å; R325-D395 IonicContact CZ-OD1 2.75Å; R325-D395 IonicContact NE-OD1 2.7Å; R325-D395 PolarHBondContact NE-OD1 2.64Å; R325-D395 IonicContact NE-OD2 2.63Å
326	A	94	Very high	89.2	Confident	10 Å²	10	11.7 Å²	11.7	8%	0.083	7%	0.065	C	C	.	.	H	α-helix	trans	-59.3	-20.9	-179.4	0	0	0	0	0	114.1	G324 D328 W329 W330 P385 R388	G324-A326 PolarHBondContact O-N 3.2Å; A326-D328 VanDerWaalsContact C-N 3.27Å; A326-D328 PolarHBondContact O-N 2.86Å; A326-W329 PolarHBondContact O-N 3Å; A326-W330 PolarHBondContact O-N 2.98Å; A326-P385 HydrophobicContact CB-CB 3.81Å; A326-R388 VanDerWaalsContact C-NH1 3.29Å; A326-R388 PolarHBondContact O-NH1 2.92Å
327	V	93.7	Very high	89.6	Confident	11 Å²	11	11.6 Å²	11.6	7%	0.067	7%	0.065	C	C	.	.	H	α-helix	trans	-62.6	-32.7	176.2	-61.4	0	0	0	0	112.6	V268 R270 A314 E316 V317 Y323 G324 R325 W329 W330 G331	V268-V327 HydrophobicContact CG1-CG2 3.7Å; R270-V327 HydrophobicContact CG-CG2 4.15Å; A314-V327 HydrophobicContact CB-CB 4.19Å; A314-V327 HydrophobicContact CB-CG1 3.99Å; E316-V327 HydrophobicContact CG-CG1 4.05Å; E316-V327 WeakPolarHBondContact OE1-CG1 3.42Å; V317-V327 HydrophobicContact CG2-CG1 3.78Å; Y323-V327 HydrophobicContact CD2-CB 4.44Å; Y323-V327 HydrophobicContact CD2-CG1 3.4Å; Y323-V327 VanDerWaalsContact CD2-CG1 3.4Å; Y323-V327 HydrophobicContact CD2-CG2 4.2Å; Y323-V327 HydrophobicContact CE2-CG1 4.06Å; Y323-V327 HydrophobicContact CE2-CG2 4.29Å; Y323-V327 HydrophobicContact CG-CG1 4.01Å; G324-V327 WeakPolarHBondContact O-CG2 3.15Å; R325-V327 PolarHBondContact O-N 2.77Å; V327-W329 VanDerWaalsContact C-N 3.3Å; V327-W329 PolarHBondContact O-N 3.47Å; V327-W330 WeakPolarHBondContact O-CB 3.49Å; V327-W330 PolarHBondContact O-N 3.44Å; V327-G331 PolarHBondContact O-N 3.01Å
328	D	96.2	Very high	90.1	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	7%	0.067	C	C	.	.	H	α-helix	trans	-69.9	-32.5	179.2	-73.1	-11.5	0	0	0	111	L259 H263 V268 Y269 R270 R325 A326 G331 L332	L259-D328 HydrophobicContact CD1-CB 4.11Å; L259-D328 HydrophobicContact CD2-CB 4.06Å; H263-D328 IonicContact CD2-OD2 3.62Å; H263-D328 IonicContact NE2-OD2 2.8Å; H263-D328 PolarHBondContact NE2-OD2 3.08Å; H263-D328 VanDerWaalsContact NE2-OD2 3.09Å; V268-D328 WeakPolarHBondContact CG1-OD2 3.1Å; Y269-D328 WeakPolarHBondContact CB-OD2 3.29Å; Y269-D328 PolarHBondContact N-OD2 3.5Å; R270-D328 WeakPolarHBondContact CA-OD1 3.17Å; R270-D328 PolarHBondContact N-OD1 3.11Å; R325-D328 PolarHBondContact O-N 3.37Å; R325-D328 VanDerWaalsContact O-N 3.09Å; A326-D328 VanDerWaalsContact C-N 3.27Å; A326-D328 PolarHBondContact O-N 2.86Å; D328-G331 PolarHBondContact O-N 3.47Å; D328-L332 PolarHBondContact O-N 3.42Å
329	W	98	Very high	90.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-73	-32.3	175	-55.3	133	0	0	0	113.1	V256 L259 H263 A326 V327 L332 G333 L380 G390 D395 A396 I399	V256-W329 HydrophobicContact CG1-CH2 4.44Å; V256-W329 HydrophobicContact CG1-CZ3 4.44Å; V256-W329 HydrophobicContact CG2-CZ3 4.16Å; L259-W329 HydrophobicContact CB-CH2 3.68Å; L259-W329 HydrophobicContact CB-CZ2 4.48Å; L259-W329 HydrophobicContact CB-CZ3 3.8Å; L259-W329 HydrophobicContact CD1-CE3 3.97Å; L259-W329 HydrophobicContact CD1-CH2 4.4Å; L259-W329 HydrophobicContact CD1-CZ3 3.69Å; L259-W329 HydrophobicContact CG-CZ3 4.41Å; H263-W329 AromaticContact CE1-CE2 3.58Å; H263-W329 AromaticContact CE1-CZ2 3.62Å; H263-W329 AromaticContact CE1-NE1 3.63Å; H263-W329 AromaticContact ND1-CE2 3.82Å; H263-W329 AromaticContact ND1-CZ2 3.53Å; H263-W329 AromaticContact ND1-NE1 3.84Å; A326-W329 PolarHBondContact O-N 3Å; V327-W329 VanDerWaalsContact C-N 3.3Å; V327-W329 PolarHBondContact O-N 3.47Å; W329-L332 HydrophobicContact CE3-CB 4.48Å; W329-L332 HydrophobicContact CE3-CD2 3.82Å; W329-L332 HydrophobicContact CZ3-CD2 4.05Å; W329-L332 PolarHBondContact O-N 3.29Å; W329-G333 PolarHBondContact O-N 3.07Å; W329-L380 HydrophobicContact CB-CD2 4.18Å; W329-G390 VanDerWaalsContact CD1-C 3.4Å; W329-G390 PolarHBondContact NE1-O 3.35Å; W329-D395 PolarHBondContact NE1-OD1 3.19Å; W329-A396 HydrophobicContact CH2-CB 3.6Å; W329-A396 HydrophobicContact CZ2-CB 3.64Å; W329-I399 HydrophobicContact CB-CD1 4.28Å; W329-I399 HydrophobicContact CD2-CD1 3.23Å; W329-I399 HydrophobicContact CE3-CD1 3.14Å; W329-I399 HydrophobicContact CG-CD1 3.76Å; W329-I399 HydrophobicContact CH2-CD1 4.03Å; W329-I399 HydrophobicContact CZ2-CD1 4.11Å; W329-I399 HydrophobicContact CZ3-CD1 3.56Å
330	W	97.7	Very high	91.7	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.008	6%	0.056	C	C	.	.	H	α-helix	trans	-62.1	-49.6	167	173.7	-86.5	0	0	0	110.6	Y312 L313 A314 P315 A326 V327 L332 G333 V334 F346 I358 L381	Y312-W330 VanDerWaalsContact O-CD1 3.24Å; Y312-W330 PolarHBondContact O-NE1 3.5Å; L313-W330 PolarHBondContact O-NE1 3.24Å; A314-W330 VanDerWaalsContact CA-CD1 3.47Å; A314-W330 HydrophobicContact CB-CB 3.77Å; A314-W330 HydrophobicContact CB-CD2 4.23Å; A314-W330 HydrophobicContact CB-CG 3.63Å; P315-W330 HydrophobicContact CG-CE3 4.16Å; P315-W330 HydrophobicContact CG-CH2 3.64Å; P315-W330 HydrophobicContact CG-CZ2 4.11Å; P315-W330 HydrophobicContact CG-CZ3 3.67Å; A326-W330 PolarHBondContact O-N 2.98Å; V327-W330 WeakPolarHBondContact O-CB 3.49Å; V327-W330 PolarHBondContact O-N 3.44Å; W330-L332 VanDerWaalsContact C-N 3.25Å; W330-L332 PolarHBondContact O-N 3.4Å; W330-G333 CarbonylContact O-C 3.49Å; W330-G333 WeakPolarHBondContact O-CA 3.5Å; W330-G333 PolarHBondContact O-N 3.24Å; W330-V334 WeakPolarHBondContact O-CG2 3.38Å; W330-V334 PolarHBondContact O-N 3.3Å; W330-F346 AromaticContact CH2-CE2 3.88Å; W330-F346 HydrophobicContact CH2-CE2 3.88Å; W330-F346 HydrophobicContact CZ2-CD2 4.39Å; W330-F346 HydrophobicContact CZ2-CE2 4.01Å; W330-I358 HydrophobicContact CH2-CG2 4.32Å; W330-I358 HydrophobicContact CZ2-CG2 3.89Å; W330-L381 HydrophobicContact CD2-CD2 4.06Å; W330-L381 HydrophobicContact CE3-CD2 4.07Å; W330-L381 HydrophobicContact CH2-CD2 4.41Å; W330-L381 HydrophobicContact CZ2-CD2 4.38Å; W330-L381 HydrophobicContact CZ3-CB 4.21Å; W330-L381 HydrophobicContact CZ3-CD2 4.26Å; W330-L381 WeakPolarHBondContact CZ3-O 3.39Å
331	G	97.4	Very high	93.1	Very high	4 Å²	4	10.1 Å²	10.1	4%	0.041	6%	0.059	C	C	.	.	H	α-helix	trans	-54.1	-43	175.8	0	0	0	0	0	112	L272 V327 D328 G333 V334 V335	L272-G331 VanDerWaalsContact CD2-C 3.48Å; V327-G331 PolarHBondContact O-N 3.01Å; D328-G331 PolarHBondContact O-N 3.47Å; G331-G333 VanDerWaalsContact C-N 3.34Å; G331-G333 PolarHBondContact O-N 2.89Å; G331-V334 PolarHBondContact O-N 2.92Å; G331-V335 WeakPolarHBondContact O-CB 3.46Å; G331-V335 WeakPolarHBondContact O-CG2 3.41Å; G331-V335 PolarHBondContact O-N 2.93Å
332	L	98.6	Very high	94.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.4	-44.5	175	177.1	67.4	0	0	0	111.2	I255 V256 L272 D328 W329 W330 V334 V335 M336 L380 I399	I255-L332 HydrophobicContact CB-CD1 4.09Å; I255-L332 HydrophobicContact CD1-CD1 4.48Å; I255-L332 HydrophobicContact CG2-CD1 3.74Å; V256-L332 HydrophobicContact CG2-CD2 3.43Å; V256-L332 VanDerWaalsContact CG2-CD2 3.43Å; L272-L332 VanDerWaalsContact CD2-CA 3.48Å; L272-L332 HydrophobicContact CD2-CB 3.98Å; L272-L332 VanDerWaalsContact CD2-N 3.25Å; D328-L332 PolarHBondContact O-N 3.42Å; W329-L332 HydrophobicContact CE3-CB 4.48Å; W329-L332 HydrophobicContact CE3-CD2 3.82Å; W329-L332 HydrophobicContact CZ3-CD2 4.05Å; W329-L332 PolarHBondContact O-N 3.29Å; W330-L332 VanDerWaalsContact C-N 3.25Å; W330-L332 PolarHBondContact O-N 3.4Å; L332-V334 VanDerWaalsContact C-N 3.35Å; L332-V334 PolarHBondContact O-N 3.44Å; L332-V335 PolarHBondContact O-N 3.45Å; L332-M336 HydrophobicContact CD1-CG 3.88Å; L332-M336 HydrophobicContact CD1-SD 3.71Å; L332-M336 HydrophobicContact CD2-SD 4.33Å; L332-M336 HydrophobicContact CG-CG 4.29Å; L332-M336 HydrophobicContact CG-SD 3.82Å; L332-M336 WeakPolarHBondContact O-CB 3.14Å; L332-M336 VanDerWaalsContact O-CG 3.29Å; L332-M336 WeakPolarHBondContact O-CG 3.42Å; L332-M336 PolarHBondContact O-N 2.92Å; L332-L380 HydrophobicContact CD2-CD1 4.18Å; L332-L380 HydrophobicContact CD2-CD2 4.31Å; L332-L380 HydrophobicContact CG-CD1 4.2Å; L332-I399 HydrophobicContact CD2-CD1 4.49Å; L332-I399 HydrophobicContact CD2-CG2 4.48Å
333	G	98.5	Very high	95.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-57.7	-44.8	174.9	0	0	0	0	0	112.6	W329 W330 G331 Y337 L377	W329-G333 PolarHBondContact O-N 3.07Å; W330-G333 CarbonylContact O-C 3.49Å; W330-G333 WeakPolarHBondContact O-CA 3.5Å; W330-G333 PolarHBondContact O-N 3.24Å; G331-G333 VanDerWaalsContact C-N 3.34Å; G331-G333 PolarHBondContact O-N 2.89Å; G333-Y337 WeakPolarHBondContact O-CB 3.17Å; G333-Y337 PolarHBondContact O-N 3.22Å; G333-L377 WeakPolarHBondContact O-CD2 3.47Å
334	V	98.4	Very high	96.3	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-64.7	-49.6	178.4	177.5	0	0	0	0	110.5	Y312 W330 G331 L332 M336 Y337 E338 L344 P345 L381	Y312-V334 HydrophobicContact CD1-CB 3.88Å; Y312-V334 HydrophobicContact CD1-CG1 3.38Å; Y312-V334 HydrophobicContact CE1-CB 4.39Å; Y312-V334 HydrophobicContact CE1-CG1 3.65Å; Y312-V334 HydrophobicContact CG-CG1 4.06Å; W330-V334 WeakPolarHBondContact O-CG2 3.38Å; W330-V334 PolarHBondContact O-N 3.3Å; G331-V334 PolarHBondContact O-N 2.92Å; L332-V334 VanDerWaalsContact C-N 3.35Å; L332-V334 PolarHBondContact O-N 3.44Å; V334-M336 PolarHBondContact O-N 2.9Å; V334-Y337 WeakPolarHBondContact O-CB 3.2Å; V334-Y337 PolarHBondContact O-N 3.32Å; V334-E338 WeakPolarHBondContact O-CB 3.41Å; V334-E338 PolarHBondContact O-N 3.44Å; V334-L344 HydrophobicContact CG1-CD2 3.82Å; V334-P345 HydrophobicContact CB-CG 4.48Å; V334-P345 HydrophobicContact CG1-CG 4.15Å; V334-P345 HydrophobicContact CG2-CG 4.15Å; V334-L381 HydrophobicContact CG2-CD2 3.86Å
335	V	98.2	Very high	96.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-59.1	-47.5	178.9	159.5	0	0	0	0	111.5	I255 L272 L274 L277 Y312 G331 L332 E338 M339	I255-V335 HydrophobicContact CD1-CG1 4.29Å; L272-V335 HydrophobicContact CD2-CG2 4.35Å; L272-V335 HydrophobicContact CG-CG2 4.29Å; L274-V335 HydrophobicContact CD2-CG1 3.88Å; L277-V335 HydrophobicContact CD1-CG1 3.7Å; L277-V335 HydrophobicContact CD1-CG2 4.23Å; Y312-V335 HydrophobicContact CD1-CG2 4.1Å; Y312-V335 HydrophobicContact CE1-CG2 3.65Å; G331-V335 WeakPolarHBondContact O-CB 3.46Å; G331-V335 WeakPolarHBondContact O-CG2 3.41Å; G331-V335 PolarHBondContact O-N 2.93Å; L332-V335 PolarHBondContact O-N 3.45Å; V335-E338 PolarHBondContact O-N 3.03Å; V335-M339 HydrophobicContact CG1-CE 3.32Å; V335-M339 WeakPolarHBondContact O-CG 3.33Å; V335-M339 PolarHBondContact O-N 3.4Å
336	M	98.6	Very high	97	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-69	-36.6	178.8	-70.6	-175.8	75.8	0	0	112.3	T248 L332 V334 E338 M339 M340 L376 L377 L380 F404 F405	T248-M336 HydrophobicContact CG2-CB 4.01Å; T248-M336 HydrophobicContact CG2-CE 3.86Å; T248-M336 HydrophobicContact CG2-CG 4.03Å; L332-M336 HydrophobicContact CD1-CG 3.88Å; L332-M336 HydrophobicContact CD1-SD 3.71Å; L332-M336 HydrophobicContact CD2-SD 4.33Å; L332-M336 HydrophobicContact CG-CG 4.29Å; L332-M336 HydrophobicContact CG-SD 3.82Å; L332-M336 WeakPolarHBondContact O-CB 3.14Å; L332-M336 VanDerWaalsContact O-CG 3.29Å; L332-M336 WeakPolarHBondContact O-CG 3.42Å; L332-M336 PolarHBondContact O-N 2.92Å; V334-M336 PolarHBondContact O-N 2.9Å; M336-E338 VanDerWaalsContact C-N 3.34Å; M336-M339 HydrophobicContact CG-CE 4.04Å; M336-M339 PolarHBondContact O-N 3.12Å; M336-M340 HydrophobicContact CB-CE 4.1Å; M336-M340 VanDerWaalsContact O-CE 3.23Å; M336-M340 WeakPolarHBondContact O-CE 3Å; M336-M340 PolarHBondContact O-N 3.05Å; M336-M340 VanDerWaalsContact O-N 3.1Å; M336-L376 HydrophobicContact CE-CD2 3.51Å; M336-L376 HydrophobicContact SD-CD2 4.06Å; M336-L377 HydrophobicContact CB-CD2 4.04Å; M336-L380 HydrophobicContact SD-CD1 4.34Å; M336-F404 HydrophobicContact CE-CD1 4.08Å; M336-F404 HydrophobicContact CE-CE1 3.48Å; M336-F404 VanDerWaalsContact CE-CE1 3.48Å; M336-F404 HydrophobicContact CE-CZ 4.23Å; M336-F405 HydrophobicContact CE-CE1 4.5Å; M336-F405 HydrophobicContact CE-CZ 3.88Å; M336-F405 HydrophobicContact SD-CZ 4.33Å
337	Y	98.5	Very high	97	Very high	3 Å²	3	21.5 Å²	21.5	1%	0.012	11%	0.106	C	C	.	.	H	α-helix	trans	-59.7	-48.3	172.4	-177.2	-76.4	0	0	0	110	G333 V334 M339 M340 C341 R343 P345 I363 K364 F365 L377 L381	G333-Y337 WeakPolarHBondContact O-CB 3.17Å; G333-Y337 PolarHBondContact O-N 3.22Å; V334-Y337 WeakPolarHBondContact O-CB 3.2Å; V334-Y337 PolarHBondContact O-N 3.32Å; Y337-M339 PolarHBondContact O-N 3.42Å; Y337-M340 PolarHBondContact O-N 3.17Å; Y337-C341 HydrophobicContact CD1-CB 3.88Å; Y337-C341 HydrophobicContact CE1-CB 3.55Å; Y337-C341 WeakPolarHBondContact O-CB 3.16Å; Y337-C341 PolarHBondContact O-N 3.38Å; Y337-C341 PolarHBondContact O-SG 3.36Å; Y337-R343 WeakPolarHBondContact CD1-O 3.23Å; Y337-R343 HydrophobicContact CE1-CG 4.37Å; Y337-R343 VanDerWaalsContact CE1-O 3.23Å; Y337-R343 WeakPolarHBondContact CE1-O 3.46Å; Y337-P345 HydrophobicContact CD1-CB 3.87Å; Y337-P345 HydrophobicContact CD1-CG 4.28Å; Y337-P345 HydrophobicContact CD2-CB 4.1Å; Y337-P345 HydrophobicContact CE1-CB 4.01Å; Y337-P345 HydrophobicContact CE2-CB 4.22Å; Y337-P345 HydrophobicContact CG-CB 3.95Å; Y337-P345 HydrophobicContact CG-CG 4.37Å; Y337-I363 HydrophobicContact CD2-CG2 4.22Å; Y337-I363 HydrophobicContact CE2-CG2 3.8Å; Y337-K364 PolarHBondContact OH-O 2.8Å; Y337-F365 HydrophobicContact CD2-CD1 4.4Å; Y337-F365 HydrophobicContact CD2-CE1 4.16Å; Y337-F365 HydrophobicContact CE2-CD1 4Å; Y337-F365 HydrophobicContact CE2-CE1 4.1Å; Y337-L377 HydrophobicContact CD2-CD1 3.99Å; Y337-L381 HydrophobicContact CD2-CD1 4.29Å
338	E	97.7	Very high	96.9	Very high	20 Å²	20	23.5 Å²	23.5	9%	0.093	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-42.3	-179.1	-166.7	176.2	-179.6	0	0	111.7	L237 L274 Y312 V334 V335 M336 M340 G342 R343 L344	L237-E338 HydrophobicContact CD2-CG 3.83Å; L274-E338 HydrophobicContact CD1-CB 4.3Å; L274-E338 HydrophobicContact CD1-CG 3.88Å; L274-E338 WeakPolarHBondContact CD1-OE2 3.4Å; Y312-E338 PolarHBondContact OH-OE2 3.2Å; V334-E338 WeakPolarHBondContact O-CB 3.41Å; V334-E338 PolarHBondContact O-N 3.44Å; V335-E338 PolarHBondContact O-N 3.03Å; M336-E338 VanDerWaalsContact C-N 3.34Å; E338-M340 PolarHBondContact O-N 2.76Å; E338-G342 VanDerWaalsContact O-CA 3.29Å; E338-G342 WeakPolarHBondContact O-CA 3.28Å; E338-G342 PolarHBondContact O-N 3.1Å; E338-R343 WeakPolarHBondContact CA-O 3.47Å; E338-L344 WeakPolarHBondContact OE2-CD2 3.49Å
339	M	98.2	Very high	96.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.2	-46.8	174.2	-75.5	-170.3	-89.1	0	0	112.6	L233 F243 T248 Y251 I255 L274 V335 M336 Y337	L233-M339 HydrophobicContact CD1-SD 4.16Å; F243-M339 HydrophobicContact CB-CB 4.39Å; F243-M339 HydrophobicContact CD2-CB 3.96Å; F243-M339 HydrophobicContact CD2-CG 3.69Å; F243-M339 HydrophobicContact CD2-SD 3.85Å; F243-M339 HydrophobicContact CE2-CG 4.1Å; F243-M339 HydrophobicContact CE2-SD 4.2Å; F243-M339 PolarHBondContact N-O 2.82Å; T248-M339 HydrophobicContact CG2-CB 3.91Å; T248-M339 HydrophobicContact CG2-CE 4.05Å; T248-M339 HydrophobicContact CG2-SD 4.25Å; Y251-M339 HydrophobicContact CD2-SD 4.12Å; I255-M339 HydrophobicContact CD1-CE 4.45Å; L274-M339 HydrophobicContact CD2-CG 4.1Å; V335-M339 HydrophobicContact CG1-CE 3.32Å; V335-M339 WeakPolarHBondContact O-CG 3.33Å; V335-M339 PolarHBondContact O-N 3.4Å; M336-M339 HydrophobicContact CG-CE 4.04Å; M336-M339 PolarHBondContact O-N 3.12Å; Y337-M339 PolarHBondContact O-N 3.42Å
340	M	97.6	Very high	96.2	Very high	12 Å²	12	34.7 Å²	34.7	6%	0.059	17%	0.17	C	C	.	.	H	α-helix	trans	-87.2	-18.5	-176	-64.9	178.6	-77.5	0	0	114.7	V242 E245 T248 M336 Y337 E338 L369 A373 L377 F404	V242-M340 VanDerWaalsContact CG2-C 3.44Å; V242-M340 WeakPolarHBondContact CG2-O 3.33Å; E245-M340 HydrophobicContact CB-SD 4.32Å; E245-M340 HydrophobicContact CG-CG 4.4Å; E245-M340 HydrophobicContact CG-SD 3.89Å; T248-M340 HydrophobicContact CG2-CE 3.92Å; T248-M340 HydrophobicContact CG2-CG 3.7Å; T248-M340 HydrophobicContact CG2-SD 3.99Å; T248-M340 VanDerWaalsContact OG1-CG 3.28Å; T248-M340 WeakPolarHBondContact OG1-CG 3.29Å; M336-M340 HydrophobicContact CB-CE 4.1Å; M336-M340 VanDerWaalsContact O-CE 3.23Å; M336-M340 WeakPolarHBondContact O-CE 3Å; M336-M340 PolarHBondContact O-N 3.05Å; M336-M340 VanDerWaalsContact O-N 3.1Å; Y337-M340 PolarHBondContact O-N 3.17Å; E338-M340 PolarHBondContact O-N 2.76Å; M340-L369 HydrophobicContact CB-CD2 3.77Å; M340-L369 HydrophobicContact CG-CD2 4.47Å; M340-L369 HydrophobicContact SD-CD2 4.07Å; M340-A373 HydrophobicContact CE-CB 4.48Å; M340-A373 HydrophobicContact SD-CB 3.99Å; M340-L377 HydrophobicContact CE-CD1 3.82Å; M340-L377 HydrophobicContact CE-CD2 4.04Å; M340-L377 HydrophobicContact CE-CG 4.07Å; M340-F404 HydrophobicContact CE-CZ 4.46Å; M340-F404 HydrophobicContact SD-CE2 4.12Å; M340-F404 HydrophobicContact SD-CZ 3.93Å
341	C	96.8	Very high	95.7	Very high	24 Å²	24	39 Å²	39	16%	0.162	19%	0.19	C	C	.	.	H	α-helix	trans	-109	-15.3	-177.5	-58.3	0	0	0	0	113.6	Y337 R343	Y337-C341 HydrophobicContact CD1-CB 3.88Å; Y337-C341 HydrophobicContact CE1-CB 3.55Å; Y337-C341 WeakPolarHBondContact O-CB 3.16Å; Y337-C341 PolarHBondContact O-N 3.38Å; Y337-C341 PolarHBondContact O-SG 3.36Å; C341-R343 HydrophobicContact CB-CG 4.37Å; C341-R343 PolarHBondContact O-N 2.67Å
342	G	95	Very high	95.1	Very high	36 Å²	36	43.5 Å²	43.5	37%	0.371	21%	0.21	S	C	.	.	S	Bend	trans	69.6	15.9	-177.1	0	0	0	0	0	114.9	R241 E338	R241-G342 WeakPolarHBondContact O-CA 3.38Å; E338-G342 VanDerWaalsContact O-CA 3.29Å; E338-G342 WeakPolarHBondContact O-CA 3.28Å; E338-G342 PolarHBondContact O-N 3.1Å
343	R	94.8	Very high	94.7	Very high	146 Å²	146	48.6 Å²	48.6	55%	0.551	23%	0.232	S	C	*	.	S	Bend	trans	-159.2	157	179	65.1	-178.4	-175.3	177.7	1.3	110.2	Y337 E338 C341	Y337-R343 WeakPolarHBondContact CD1-O 3.23Å; Y337-R343 HydrophobicContact CE1-CG 4.37Å; Y337-R343 VanDerWaalsContact CE1-O 3.23Å; Y337-R343 WeakPolarHBondContact CE1-O 3.46Å; E338-R343 WeakPolarHBondContact CA-O 3.47Å; C341-R343 HydrophobicContact CB-CG 4.37Å; C341-R343 PolarHBondContact O-N 2.67Å
344	L	96.2	Very high	94.4	Very high	30 Å²	30	48.6 Å²	48.6	16%	0.157	23%	0.232	C	C	.	.			trans	-63.6	149.9	173.3	-68.8	161	0	0	0	112.1	E311 Y312 V334 E338 F346 Y347	E311-L344 HydrophobicContact CB-CD1 3.7Å; E311-L344 HydrophobicContact CB-CD2 4.18Å; E311-L344 HydrophobicContact CG-CD1 3.68Å; Y312-L344 HydrophobicContact CE1-CD2 4.46Å; Y312-L344 HydrophobicContact CE2-CD2 4.24Å; V334-L344 HydrophobicContact CG1-CD2 3.82Å; E338-L344 WeakPolarHBondContact OE2-CD2 3.49Å; L344-F346 VanDerWaalsContact C-N 3.3Å; L344-F346 WeakPolarHBondContact CB-O 3.47Å; L344-F346 PolarHBondContact O-N 3Å; L344-Y347 HydrophobicContact CD1-CD2 3.77Å
345	P	96.6	Very high	94	Very high	18 Å²	18	49.2 Å²	49.2	12%	0.117	24%	0.235	C	C	.	.	S	Bend	trans	-66.1	-33.7	176.1	26.2	-32.8	0	0	0	112.4	V334 Y337 L381	V334-P345 HydrophobicContact CB-CG 4.48Å; V334-P345 HydrophobicContact CG1-CG 4.15Å; V334-P345 HydrophobicContact CG2-CG 4.15Å; Y337-P345 HydrophobicContact CD1-CB 3.87Å; Y337-P345 HydrophobicContact CD1-CG 4.28Å; Y337-P345 HydrophobicContact CD2-CB 4.1Å; Y337-P345 HydrophobicContact CE1-CB 4.01Å; Y337-P345 HydrophobicContact CE2-CB 4.22Å; Y337-P345 HydrophobicContact CG-CB 3.95Å; Y337-P345 HydrophobicContact CG-CG 4.37Å; P345-L381 HydrophobicContact CB-CD1 4.44Å
346	F	96.5	Very high	93.7	Very high	5 Å²	5	54.8 Å²	54.8	2%	0.022	26%	0.261	C	S	.	.	S	Bend	trans	-131.5	135.4	174.3	-51.8	-75.1	0	0	0	108.7	W330 L344 L354 L357 I358 E361 I363	W330-F346 AromaticContact CH2-CE2 3.88Å; W330-F346 HydrophobicContact CH2-CE2 3.88Å; W330-F346 HydrophobicContact CZ2-CD2 4.39Å; W330-F346 HydrophobicContact CZ2-CE2 4.01Å; L344-F346 VanDerWaalsContact C-N 3.3Å; L344-F346 WeakPolarHBondContact CB-O 3.47Å; L344-F346 PolarHBondContact O-N 3Å; F346-L354 HydrophobicContact CB-CD1 4.08Å; F346-L357 HydrophobicContact CB-CB 4.29Å; F346-L357 HydrophobicContact CD1-CB 4.02Å; F346-L357 HydrophobicContact CG-CB 4.48Å; F346-I358 HydrophobicContact CB-CG1 3.96Å; F346-I358 HydrophobicContact CD2-CG1 3.88Å; F346-I358 HydrophobicContact CG-CG1 4.05Å; F346-E361 HydrophobicContact CE1-CB 4.12Å; F346-E361 WeakPolarHBondContact CE1-O 3.26Å; F346-I363 HydrophobicContact CE2-CG1 4.22Å; F346-I363 HydrophobicContact CZ-CG1 3.72Å
347	Y	93.6	Very high	93.4	Very high	139 Å²	139	56.9 Å²	56.9	55%	0.545	27%	0.272	S	S	.	.			trans	-152.7	133.5	177.7	-177	-102.9	0	0	0	110.9	E311 L344	E311-Y347 HydrophobicContact CG-CD2 4.39Å; L344-Y347 HydrophobicContact CD1-CD2 3.77Å
348	N	93.1	Very high	93.1	Very high	52 Å²	52	56.7 Å²	56.7	28%	0.278	27%	0.271	S	S	.	.			trans	-152.8	145.3	167.5	-156.6	-68.6	0	0	0	108.9	D350 K353 L354 L357	N348-D350 PolarHBondContact O-N 3.27Å; N348-D350 WeakPolarHBondContact OD1-CB 3.31Å; N348-D350 PolarHBondContact OD1-N 3.49Å; N348-K353 HydrophobicContact CB-CB 4.15Å; N348-L354 HydrophobicContact CB-CB 4.11Å; N348-L357 HydrophobicContact CB-CD1 4.2Å
349	Q	89.9	Confident	92.8	Very high	173 Å²	173	56.5 Å²	56.5	81%	0.808	27%	0.27	S	S	*	.	S	Bend	trans	-67.3	-26.8	173.9	-68.8	-179.2	-19.5	0	0	112.2
350	D	88.9	Confident	92.5	Very high	64 Å²	64	62.5 Å²	62.5	34%	0.342	30%	0.3	S	S	.	.	S	Bend	trans	-89.2	112.2	173.9	-177.4	-16.3	0	0	0	109.3	N348 E352 K353 L354	N348-D350 PolarHBondContact O-N 3.27Å; N348-D350 WeakPolarHBondContact OD1-CB 3.31Å; N348-D350 PolarHBondContact OD1-N 3.49Å; D350-E352 VanDerWaalsContact C-N 3.26Å; D350-E352 PolarHBondContact O-N 3.41Å; D350-E352 WeakPolarHBondContact OD1-CB 3.39Å; D350-E352 PolarHBondContact OD1-N 3.15Å; D350-K353 HydrophobicContact CB-CB 4.15Å; D350-K353 HydrophobicContact CB-CD 4Å; D350-K353 HydrophobicContact CB-CG 4.08Å; D350-K353 PolarHBondContact O-N 3.15Å; D350-K353 VanDerWaalsContact O-N 3.13Å; D350-K353 WeakPolarHBondContact OD2-CE 3.49Å; D350-K353 IonicContact OD2-NZ 2.62Å; D350-L354 PolarHBondContact O-N 3.08Å
351	H	87.1	Confident	92.3	Very high	93 Å²	93	64.9 Å²	64.9	43%	0.431	31%	0.311	S	S	.	.	H	α-helix	trans	-59.4	-33.9	-179.8	-68.6	170.7	0	0	0	112.9	K353 L354 F355	H351-K353 VanDerWaalsContact C-N 3.3Å; H351-K353 PolarHBondContact O-N 3.18Å; H351-L354 PolarHBondContact O-N 3.37Å; H351-F355 HydrophobicContact CB-CE2 4.11Å; H351-F355 HydrophobicContact CB-CZ 4.11Å; H351-F355 WeakPolarHBondContact O-CB 3.13Å; H351-F355 WeakPolarHBondContact O-CD1 3.42Å; H351-F355 WeakPolarHBondContact O-CD2 3.32Å; H351-F355 WeakPolarHBondContact O-CG 3.3Å; H351-F355 PolarHBondContact O-N 3.39Å
352	E	85.5	Confident	92.1	Very high	98 Å²	98	70 Å²	70	46%	0.458	34%	0.337	S	S	.	.	H	α-helix	trans	-64.6	-40.7	178.2	-66.4	-169.6	172.1	0	0	110.3	D350 E356	D350-E352 VanDerWaalsContact C-N 3.26Å; D350-E352 PolarHBondContact O-N 3.41Å; D350-E352 WeakPolarHBondContact OD1-CB 3.39Å; D350-E352 PolarHBondContact OD1-N 3.15Å; E352-E356 PolarHBondContact O-N 2.8Å; E352-E356 VanDerWaalsContact O-N 3.09Å
353	K	89.6	Confident	92.1	Very high	106 Å²	106	70 Å²	70	46%	0.461	33%	0.328	S	S	.	.	H	α-helix	trans	-69.2	-43.8	174.1	-65.6	-179.5	-171.7	166.6	0	111.7	N348 D350 H351 F355 E356 L357	N348-K353 HydrophobicContact CB-CB 4.15Å; D350-K353 HydrophobicContact CB-CB 4.15Å; D350-K353 HydrophobicContact CB-CD 4Å; D350-K353 HydrophobicContact CB-CG 4.08Å; D350-K353 PolarHBondContact O-N 3.15Å; D350-K353 VanDerWaalsContact O-N 3.13Å; D350-K353 WeakPolarHBondContact OD2-CE 3.49Å; D350-K353 IonicContact OD2-NZ 2.62Å; H351-K353 VanDerWaalsContact C-N 3.3Å; H351-K353 PolarHBondContact O-N 3.18Å; K353-F355 VanDerWaalsContact C-N 3.26Å; K353-F355 PolarHBondContact O-N 2.69Å; K353-E356 WeakPolarHBondContact O-CB 3.19Å; K353-E356 PolarHBondContact O-N 3.23Å; K353-E356 VanDerWaalsContact O-N 3.09Å; K353-L357 VanDerWaalsContact O-CG 3.3Å; K353-L357 WeakPolarHBondContact O-CG 3.38Å; K353-L357 PolarHBondContact O-N 3.02Å
354	L	91.4	Very high	92.1	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-53.6	-47.6	176	172.3	60.8	0	0	0	110.9	P310 E311 F346 N348 D350 H351 E356 L357 I358	P310-L354 HydrophobicContact CB-CD2 4Å; E311-L354 HydrophobicContact CG-CD2 4Å; F346-L354 HydrophobicContact CB-CD1 4.08Å; N348-L354 HydrophobicContact CB-CB 4.11Å; D350-L354 PolarHBondContact O-N 3.08Å; H351-L354 PolarHBondContact O-N 3.37Å; L354-E356 VanDerWaalsContact C-N 3.33Å; L354-E356 PolarHBondContact O-N 2.73Å; L354-L357 PolarHBondContact O-N 2.98Å; L354-I358 HydrophobicContact CD1-CD1 4.04Å; L354-I358 HydrophobicContact CD1-CG1 4.33Å; L354-I358 HydrophobicContact CG-CD1 4.01Å; L354-I358 WeakPolarHBondContact O-CG1 3.37Å; L354-I358 PolarHBondContact O-N 2.91Å
355	F	90.7	Very high	92	Very high	15 Å²	15	70.4 Å²	70.4	7%	0.066	33%	0.332	C	S	.	.	H	α-helix	trans	-64.6	-37	178.4	-60.7	-23.1	0	0	0	112.3	I19 F306 P310 L313 L318 H351 K353 I358 L359	I19-F355 HydrophobicContact CD1-CB 3.44Å; I19-F355 VanDerWaalsContact CD1-CB 3.44Å; I19-F355 HydrophobicContact CD1-CG 4.43Å; I19-F355 HydrophobicContact CG1-CB 3.66Å; I19-F355 HydrophobicContact CG1-CD2 3.98Å; I19-F355 HydrophobicContact CG1-CG 4.27Å; F306-F355 HydrophobicContact CZ-CE2 4.42Å; F306-F355 HydrophobicContact CZ-CZ 4.12Å; P310-F355 HydrophobicContact CB-CE1 3.87Å; P310-F355 HydrophobicContact CB-CZ 4.23Å; L313-F355 HydrophobicContact CD1-CE1 4.09Å; L313-F355 HydrophobicContact CD1-CZ 4.42Å; L318-F355 HydrophobicContact CD1-CB 3.94Å; L318-F355 HydrophobicContact CD1-CD1 3.98Å; L318-F355 HydrophobicContact CD1-CG 4.2Å; L318-F355 HydrophobicContact CD2-CB 4.47Å; L318-F355 HydrophobicContact CD2-CD1 3.6Å; L318-F355 HydrophobicContact CD2-CD2 4.42Å; L318-F355 HydrophobicContact CD2-CE1 3.84Å; L318-F355 HydrophobicContact CD2-CG 3.93Å; L318-F355 HydrophobicContact CD2-CZ 4.36Å; L318-F355 HydrophobicContact CG-CD1 4.46Å; H351-F355 HydrophobicContact CB-CE2 4.11Å; H351-F355 HydrophobicContact CB-CZ 4.11Å; H351-F355 WeakPolarHBondContact O-CB 3.13Å; H351-F355 WeakPolarHBondContact O-CD1 3.42Å; H351-F355 WeakPolarHBondContact O-CD2 3.32Å; H351-F355 WeakPolarHBondContact O-CG 3.3Å; H351-F355 PolarHBondContact O-N 3.39Å; K353-F355 VanDerWaalsContact C-N 3.26Å; K353-F355 PolarHBondContact O-N 2.69Å; F355-I358 HydrophobicContact CD1-CD1 4.5Å; F355-L359 WeakPolarHBondContact O-CB 3.38Å; F355-L359 VanDerWaalsContact O-CG 3.3Å; F355-L359 WeakPolarHBondContact O-CG 3.36Å; F355-L359 PolarHBondContact O-N 2.79Å
356	E	90.8	Very high	91.9	Very high	117 Å²	117	71.3 Å²	71.3	55%	0.547	34%	0.338	S	S	.	.	H	α-helix	trans	-61.8	-43.6	171.5	-173.6	179.4	-173.2	0	0	112.1	E352 K353 L354 L359 M360	E352-E356 PolarHBondContact O-N 2.8Å; E352-E356 VanDerWaalsContact O-N 3.09Å; K353-E356 WeakPolarHBondContact O-CB 3.19Å; K353-E356 PolarHBondContact O-N 3.23Å; K353-E356 VanDerWaalsContact O-N 3.09Å; L354-E356 VanDerWaalsContact C-N 3.33Å; L354-E356 PolarHBondContact O-N 2.73Å; E356-L359 PolarHBondContact O-N 2.86Å; E356-M360 HydrophobicContact CG-CG 4.4Å; E356-M360 WeakPolarHBondContact O-CB 3.41Å; E356-M360 PolarHBondContact O-N 3.3Å
357	L	93.1	Very high	91.6	Very high	43 Å²	43	82.5 Å²	82.5	23%	0.225	38%	0.381	C	S	.	.	H	α-helix	trans	-61.7	-47.7	177.4	-59.2	171.3	0	0	0	110.9	F346 N348 K353 L354 L359 M360 E361	F346-L357 HydrophobicContact CB-CB 4.29Å; F346-L357 HydrophobicContact CD1-CB 4.02Å; F346-L357 HydrophobicContact CG-CB 4.48Å; N348-L357 HydrophobicContact CB-CD1 4.2Å; K353-L357 VanDerWaalsContact O-CG 3.3Å; K353-L357 WeakPolarHBondContact O-CG 3.38Å; K353-L357 PolarHBondContact O-N 3.02Å; L354-L357 PolarHBondContact O-N 2.98Å; L357-L359 VanDerWaalsContact C-N 3.28Å; L357-L359 PolarHBondContact O-N 3.07Å; L357-M360 PolarHBondContact O-N 2.85Å; L357-E361 HydrophobicContact CB-CB 4.43Å; L357-E361 HydrophobicContact CD2-CB 4.4Å; L357-E361 WeakPolarHBondContact CD2-OE2 3.49Å; L357-E361 WeakPolarHBondContact O-CB 3.38Å; L357-E361 PolarHBondContact O-N 2.83Å
358	I	93.1	Very high	91.6	Very high	0 Å²	0	82 Å²	82	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-55.9	-44.4	176.7	-69.1	167.5	0	0	0	110.5	P315 L318 W330 F346 L354 F355 K383	P315-I358 HydrophobicContact CB-CG2 4.47Å; P315-I358 HydrophobicContact CG-CG2 3.82Å; L318-I358 HydrophobicContact CD1-CB 3.86Å; L318-I358 HydrophobicContact CD1-CD1 4.16Å; L318-I358 HydrophobicContact CD1-CG2 3.6Å; W330-I358 HydrophobicContact CH2-CG2 4.32Å; W330-I358 HydrophobicContact CZ2-CG2 3.89Å; F346-I358 HydrophobicContact CB-CG1 3.96Å; F346-I358 HydrophobicContact CD2-CG1 3.88Å; F346-I358 HydrophobicContact CG-CG1 4.05Å; L354-I358 HydrophobicContact CD1-CD1 4.04Å; L354-I358 HydrophobicContact CD1-CG1 4.33Å; L354-I358 HydrophobicContact CG-CD1 4.01Å; L354-I358 WeakPolarHBondContact O-CG1 3.37Å; L354-I358 PolarHBondContact O-N 2.91Å; F355-I358 HydrophobicContact CD1-CD1 4.5Å; I358-K383 PolarHBondContact O-NZ 3.33Å
359	L	90.9	Very high	91.7	Very high	15 Å²	15	79.9 Å²	79.9	8%	0.079	38%	0.381	C	S	.	.	H	α-helix	trans	-74.7	-37.4	-178.9	-70	-177.4	0	0	0	114.1	I19 P315 L318 E319 F355 E356 L357 K383	I19-L359 HydrophobicContact CD1-CD1 3.28Å; I19-L359 HydrophobicContact CD1-CG 4.25Å; P315-L359 HydrophobicContact CB-CD2 3.85Å; L318-L359 HydrophobicContact CB-CD2 4.17Å; L318-L359 HydrophobicContact CB-CG 4.44Å; L318-L359 HydrophobicContact CD1-CD2 4.38Å; L318-L359 HydrophobicContact CD1-CG 4.24Å; E319-L359 HydrophobicContact CG-CD2 3.66Å; F355-L359 WeakPolarHBondContact O-CB 3.38Å; F355-L359 VanDerWaalsContact O-CG 3.3Å; F355-L359 WeakPolarHBondContact O-CG 3.36Å; F355-L359 PolarHBondContact O-N 2.79Å; E356-L359 PolarHBondContact O-N 2.86Å; L357-L359 VanDerWaalsContact C-N 3.28Å; L357-L359 PolarHBondContact O-N 3.07Å; L359-K383 WeakPolarHBondContact O-CD 3.02Å; L359-K383 PolarHBondContact O-NZ 3.4Å
360	M	90.8	Very high	92.1	Very high	126 Å²	126	73.5 Å²	73.5	62%	0.621	36%	0.355	S	S	*	.	H	α-helix	trans	-117.1	-30	-165.2	-58.4	-59.9	171.9	0	0	115.2	E356 L357	E356-M360 HydrophobicContact CG-CG 4.4Å; E356-M360 WeakPolarHBondContact O-CB 3.41Å; E356-M360 PolarHBondContact O-N 3.3Å; L357-M360 PolarHBondContact O-N 2.85Å
361	E	93.3	Very high	92.5	Very high	63 Å²	63	74.8 Å²	74.8	29%	0.294	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-84.3	141.6	-175.2	-168.4	173.4	-163.2	0	0	112.4	F346 L357 K364 K383	F346-E361 HydrophobicContact CE1-CB 4.12Å; F346-E361 WeakPolarHBondContact CE1-O 3.26Å; L357-E361 HydrophobicContact CB-CB 4.43Å; L357-E361 HydrophobicContact CD2-CB 4.4Å; L357-E361 WeakPolarHBondContact CD2-OE2 3.49Å; L357-E361 WeakPolarHBondContact O-CB 3.38Å; L357-E361 PolarHBondContact O-N 2.83Å; E361-K364 VanDerWaalsContact OE1-CE 3.29Å; E361-K364 WeakPolarHBondContact OE1-CE 3.38Å; E361-K364 IonicContact OE1-NZ 2.76Å; E361-K364 PolarHBondContact OE1-NZ 2.82Å; E361-K383 VanDerWaalsContact N-NZ 3.17Å; E361-K383 VanDerWaalsContact O-CE 3.3Å; E361-K383 WeakPolarHBondContact O-CE 3.28Å; E361-K383 PolarHBondContact O-NZ 3.05Å
362	D	93.4	Very high	93	Very high	131 Å²	131	73.6 Å²	73.6	70%	0.701	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-78.2	145.5	172.6	-68.5	-36.7	0	0	0	111.7
363	I	94.2	Very high	93.6	Very high	35 Å²	35	68.9 Å²	68.9	18%	0.179	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-69.3	135.4	-178.7	-56.4	137.7	0	0	0	110.1	Y337 F346 F365 L381	Y337-I363 HydrophobicContact CD2-CG2 4.22Å; Y337-I363 HydrophobicContact CE2-CG2 3.8Å; F346-I363 HydrophobicContact CE2-CG1 4.22Å; F346-I363 HydrophobicContact CZ-CG1 3.72Å; I363-F365 HydrophobicContact CB-CE2 4.34Å; I363-F365 HydrophobicContact CB-CZ 4.06Å; I363-F365 HydrophobicContact CG2-CD1 4.22Å; I363-F365 HydrophobicContact CG2-CE1 3.59Å; I363-F365 HydrophobicContact CG2-CE2 4.1Å; I363-F365 HydrophobicContact CG2-CZ 3.53Å; I363-L381 HydrophobicContact CD1-CB 3.26Å; I363-L381 HydrophobicContact CD1-CD1 4.03Å; I363-L381 HydrophobicContact CD1-CG 4.29Å; I363-L381 WeakPolarHBondContact CD1-O 3.18Å; I363-L381 HydrophobicContact CG1-CB 4.23Å; I363-L381 HydrophobicContact CG1-CD1 4.3Å; I363-L381 HydrophobicContact CG2-CD1 4.32Å
364	K	94.9	Very high	94	Very high	128 Å²	128	66.9 Å²	66.9	56%	0.557	34%	0.335	S	S	*	.			trans	-104.5	122.8	177.4	-64.7	173.5	-169.7	158.3	0	110.3	Y337 E361	Y337-K364 PolarHBondContact OH-O 2.8Å; E361-K364 VanDerWaalsContact OE1-CE 3.29Å; E361-K364 WeakPolarHBondContact OE1-CE 3.38Å; E361-K364 IonicContact OE1-NZ 2.76Å; E361-K364 PolarHBondContact OE1-NZ 2.82Å
365	F	95.5	Very high	94.3	Very high	57 Å²	57	69.7 Å²	69.7	25%	0.25	36%	0.355	C	S	.	.			trans	-100.8	135	177.4	-59.4	-69.1	0	0	0	111.6	Y337 I363 L369 K374 L377 S378	Y337-F365 HydrophobicContact CD2-CD1 4.4Å; Y337-F365 HydrophobicContact CD2-CE1 4.16Å; Y337-F365 HydrophobicContact CE2-CD1 4Å; Y337-F365 HydrophobicContact CE2-CE1 4.1Å; I363-F365 HydrophobicContact CB-CE2 4.34Å; I363-F365 HydrophobicContact CB-CZ 4.06Å; I363-F365 HydrophobicContact CG2-CD1 4.22Å; I363-F365 HydrophobicContact CG2-CE1 3.59Å; I363-F365 HydrophobicContact CG2-CE2 4.1Å; I363-F365 HydrophobicContact CG2-CZ 3.53Å; F365-L369 HydrophobicContact CB-CD1 4.2Å; F365-L369 HydrophobicContact CD1-CD1 3.95Å; F365-K374 HydrophobicContact CB-CD 4.46Å; F365-K374 HydrophobicContact CB-CG 4.14Å; F365-K374 HydrophobicContact CG-CG 4.17Å; F365-L377 HydrophobicContact CD1-CD1 4.29Å; F365-L377 HydrophobicContact CE1-CB 3.6Å; F365-L377 HydrophobicContact CE1-CD1 3.95Å; F365-L377 HydrophobicContact CE1-CG 4.46Å; F365-L377 HydrophobicContact CZ-CB 4.06Å; F365-S378 VanDerWaalsContact CE2-OG 3.31Å; F365-S378 WeakPolarHBondContact CE2-OG 3.34Å
366	P	92.7	Very high	94.7	Very high	37 Å²	37	69 Å²	69	24%	0.24	35%	0.352	C	S	.	.			trans	-62.7	151.1	167.6	26.7	-35	0	0	0	111	T368 L369 K374	P366-T368 PolarHBondContact O-N 3.09Å; P366-L369 HydrophobicContact CG-CD1 3.77Å; P366-L369 HydrophobicContact CG-CG 3.93Å; P366-L369 PolarHBondContact O-N 3.48Å; P366-K374 VanDerWaalsContact O-CE 3.31Å; P366-K374 WeakPolarHBondContact O-CE 3.45Å
367	R	92	Very high	95.1	Very high	241 Å²	241	63.4 Å²	63.4	91%	0.909	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.6	-179.6	-67.2	-177.3	-177.3	171.8	0.9	112.6	L369 K374	R367-L369 VanDerWaalsContact C-N 3.34Å; R367-L369 PolarHBondContact O-N 2.95Å; R367-K374 PolarHBondContact O-NZ 2.84Å
368	T	92.3	Very high	95.3	Very high	128 Å²	128	64 Å²	64	79%	0.785	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-22.6	-176.4	49.5	0	0	0	0	114.7	P366	P366-T368 PolarHBondContact O-N 3.09Å
369	L	96	Very high	95.6	Very high	8 Å²	8	64.6 Å²	64.6	4%	0.042	34%	0.34	C	S	.	.	S	Bend	trans	-66.6	138.9	177.4	-80.4	168.5	0	0	0	111.3	E245 M340 F365 P366 R367 A373 K374 L377	E245-L369 WeakPolarHBondContact OE1-CA 3.47Å; M340-L369 HydrophobicContact CB-CD2 3.77Å; M340-L369 HydrophobicContact CG-CD2 4.47Å; M340-L369 HydrophobicContact SD-CD2 4.07Å; F365-L369 HydrophobicContact CB-CD1 4.2Å; F365-L369 HydrophobicContact CD1-CD1 3.95Å; P366-L369 HydrophobicContact CG-CD1 3.77Å; P366-L369 HydrophobicContact CG-CG 3.93Å; P366-L369 PolarHBondContact O-N 3.48Å; R367-L369 VanDerWaalsContact C-N 3.34Å; R367-L369 PolarHBondContact O-N 2.95Å; L369-A373 HydrophobicContact CD2-CB 3.88Å; L369-K374 HydrophobicContact CB-CD 4.37Å; L369-K374 HydrophobicContact CB-CG 3.85Å; L369-K374 HydrophobicContact CD1-CG 4.43Å; L369-K374 WeakPolarHBondContact O-CE 3.23Å; L369-K374 PolarHBondContact O-NZ 3.2Å; L369-L377 HydrophobicContact CD1-CD1 4.25Å
370	S	97.6	Very high	95.9	Very high	38 Å²	38	63.9 Å²	63.9	27%	0.266	34%	0.336	S	S	.	.			trans	-61.8	162.9	173.4	74.5	0	0	0	0	112.3	E245 D372 A373 K374	E245-S370 PolarHBondContact OE1-N 2.75Å; E245-S370 PolarHBondContact OE1-OG 3.45Å; E245-S370 WeakPolarHBondContact OE2-CB 3.38Å; E245-S370 PolarHBondContact OE2-OG 3.46Å; S370-D372 VanDerWaalsContact C-N 3.28Å; S370-D372 PolarHBondContact O-N 2.98Å; S370-A373 PolarHBondContact O-N 2.81Å; S370-A373 WeakPolarHBondContact OG-CB 3.33Å; S370-A373 PolarHBondContact OG-N 3.29Å; S370-K374 WeakPolarHBondContact O-CB 3.47Å; S370-K374 WeakPolarHBondContact O-CG 3.45Å; S370-K374 PolarHBondContact O-N 3.43Å
371	S	97.4	Very high	96.3	Very high	92 Å²	92	58 Å²	58	64%	0.643	31%	0.307	S	S	*	.	H	α-helix	trans	-61.5	-38.4	174.4	49.4	0	0	0	0	111.9	S375	S371-S375 VanDerWaalsContact O-CB 3.29Å; S371-S375 WeakPolarHBondContact O-CB 3.48Å; S371-S375 PolarHBondContact O-N 2.84Å
372	D	98	Very high	96.4	Very high	67 Å²	67	57.8 Å²	57.8	36%	0.358	31%	0.307	S	S	.	.	H	α-helix	trans	-70	-41.8	-179.8	-70.6	-31.3	0	0	0	111.8	S370 S375 L376 H402 S403 F404	S370-D372 VanDerWaalsContact C-N 3.28Å; S370-D372 PolarHBondContact O-N 2.98Å; D372-S375 PolarHBondContact O-N 2.98Å; D372-L376 WeakPolarHBondContact O-CB 3.49Å; D372-L376 PolarHBondContact O-N 2.97Å; D372-H402 PolarHBondContact O-CE1 3.42Å; D372-S403 VanDerWaalsContact CG-OG 3.3Å; D372-S403 WeakPolarHBondContact OD1-CB 3.46Å; D372-S403 PolarHBondContact OD1-OG 2.84Å; D372-F404 HydrophobicContact CB-CB 4.26Å; D372-F404 HydrophobicContact CB-CD2 4.26Å
373	A	98.3	Very high	96.4	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-44.8	175.8	0	0	0	0	0	111.4	M340 L369 S370 L376 L377 F404	M340-A373 HydrophobicContact CE-CB 4.48Å; M340-A373 HydrophobicContact SD-CB 3.99Å; L369-A373 HydrophobicContact CD2-CB 3.88Å; S370-A373 PolarHBondContact O-N 2.81Å; S370-A373 WeakPolarHBondContact OG-CB 3.33Å; S370-A373 PolarHBondContact OG-N 3.29Å; A373-L376 PolarHBondContact O-N 3.45Å; A373-L377 VanDerWaalsContact O-CG 3.31Å; A373-L377 WeakPolarHBondContact O-CG 3.5Å; A373-L377 PolarHBondContact O-N 2.7Å; A373-F404 HydrophobicContact CB-CD2 3.96Å; A373-F404 HydrophobicContact CB-CE2 3.71Å
374	K	98.1	Very high	96.3	Very high	63 Å²	63	55.3 Å²	55.3	27%	0.274	29%	0.292	S	S	.	.	H	α-helix	trans	-59.5	-47.1	174.6	-74.1	171.9	-177.6	146	0	111.2	F365 P366 R367 L369 S370 L376 L377 S378	F365-K374 HydrophobicContact CB-CD 4.46Å; F365-K374 HydrophobicContact CB-CG 4.14Å; F365-K374 HydrophobicContact CG-CG 4.17Å; P366-K374 VanDerWaalsContact O-CE 3.31Å; P366-K374 WeakPolarHBondContact O-CE 3.45Å; R367-K374 PolarHBondContact O-NZ 2.84Å; L369-K374 HydrophobicContact CB-CD 4.37Å; L369-K374 HydrophobicContact CB-CG 3.85Å; L369-K374 HydrophobicContact CD1-CG 4.43Å; L369-K374 WeakPolarHBondContact O-CE 3.23Å; L369-K374 PolarHBondContact O-NZ 3.2Å; S370-K374 WeakPolarHBondContact O-CB 3.47Å; S370-K374 WeakPolarHBondContact O-CG 3.45Å; S370-K374 PolarHBondContact O-N 3.43Å; K374-L376 PolarHBondContact O-N 2.92Å; K374-L377 PolarHBondContact O-N 3.15Å; K374-S378 WeakPolarHBondContact O-CB 3.47Å; K374-S378 PolarHBondContact O-N 3.4Å; K374-S378 PolarHBondContact O-OG 2.63Å; K374-S378 VanDerWaalsContact O-OG 3.04Å
375	S	98.1	Very high	96.2	Very high	59 Å²	59	50.7 Å²	50.7	41%	0.413	28%	0.275	S	S	.	.	H	α-helix	trans	-58.1	-46.8	178.1	-178.8	0	0	0	0	111.9	S371 D372 S378 G379 H402	S371-S375 VanDerWaalsContact O-CB 3.29Å; S371-S375 WeakPolarHBondContact O-CB 3.48Å; S371-S375 PolarHBondContact O-N 2.84Å; D372-S375 PolarHBondContact O-N 2.98Å; S375-S378 PolarHBondContact O-N 3.28Å; S375-G379 PolarHBondContact O-N 3.49Å; S375-H402 PolarHBondContact OG-NE2 3.02Å
376	L	98.6	Very high	95.9	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.2	-52.3	179.5	179.1	67.2	0	0	0	111.1	M336 D372 A373 K374 S378 G379 L380 L389 I399 H402 F404 F405	M336-L376 HydrophobicContact CE-CD2 3.51Å; M336-L376 HydrophobicContact SD-CD2 4.06Å; D372-L376 WeakPolarHBondContact O-CB 3.49Å; D372-L376 PolarHBondContact O-N 2.97Å; A373-L376 PolarHBondContact O-N 3.45Å; K374-L376 PolarHBondContact O-N 2.92Å; L376-S378 VanDerWaalsContact C-N 3.32Å; L376-S378 PolarHBondContact O-N 2.63Å; L376-G379 PolarHBondContact O-N 2.7Å; L376-G379 VanDerWaalsContact O-N 3.09Å; L376-L380 HydrophobicContact CD1-CD1 3.93Å; L376-L380 HydrophobicContact CD1-CG 4.19Å; L376-L380 HydrophobicContact CD2-CD1 4.3Å; L376-L380 HydrophobicContact CG-CD1 3.81Å; L376-L380 HydrophobicContact CG-CG 4.38Å; L376-L380 WeakPolarHBondContact O-CG 3.39Å; L376-L380 PolarHBondContact O-N 2.75Å; L376-L389 HydrophobicContact CD1-CD2 3.66Å; L376-I399 HydrophobicContact CD1-CG2 4.4Å; L376-H402 VanDerWaalsContact CA-CE1 3.47Å; L376-H402 WeakPolarHBondContact CA-CE1 3.37Å; L376-H402 HydrophobicContact CD1-CB 4.17Å; L376-H402 PolarHBondContact N-CE1 3.07Å; L376-H402 PolarHBondContact N-NE2 3.48Å; L376-F404 HydrophobicContact CB-CB 4Å; L376-F404 HydrophobicContact CB-CG 4.33Å; L376-F404 HydrophobicContact CD2-CB 3.93Å; L376-F404 HydrophobicContact CD2-CD1 3.36Å; L376-F404 HydrophobicContact CD2-CE1 3.96Å; L376-F404 HydrophobicContact CD2-CG 3.69Å; L376-F404 HydrophobicContact CG-CB 4.44Å; L376-F405 HydrophobicContact CD1-CE2 4.07Å; L376-F405 HydrophobicContact CD2-CE2 3.79Å; L376-F405 HydrophobicContact CD2-CZ 4.14Å
377	L	98.5	Very high	96	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.5	-38.4	-178.7	-65.8	174.2	0	0	0	111.5	G333 M336 Y337 M340 F365 L369 A373 K374 G379 L380 L381	G333-L377 WeakPolarHBondContact O-CD2 3.47Å; M336-L377 HydrophobicContact CB-CD2 4.04Å; Y337-L377 HydrophobicContact CD2-CD1 3.99Å; M340-L377 HydrophobicContact CE-CD1 3.82Å; M340-L377 HydrophobicContact CE-CD2 4.04Å; M340-L377 HydrophobicContact CE-CG 4.07Å; F365-L377 HydrophobicContact CD1-CD1 4.29Å; F365-L377 HydrophobicContact CE1-CB 3.6Å; F365-L377 HydrophobicContact CE1-CD1 3.95Å; F365-L377 HydrophobicContact CE1-CG 4.46Å; F365-L377 HydrophobicContact CZ-CB 4.06Å; L369-L377 HydrophobicContact CD1-CD1 4.25Å; A373-L377 VanDerWaalsContact O-CG 3.31Å; A373-L377 WeakPolarHBondContact O-CG 3.5Å; A373-L377 PolarHBondContact O-N 2.7Å; K374-L377 PolarHBondContact O-N 3.15Å; L377-G379 PolarHBondContact O-N 3.42Å; L377-L380 PolarHBondContact O-N 3.22Å; L377-L381 VanDerWaalsContact O-CB 3.28Å; L377-L381 WeakPolarHBondContact O-CB 3.31Å; L377-L381 PolarHBondContact O-N 3.3Å
378	S	97.8	Very high	96.2	Very high	56 Å²	56	47.2 Å²	47.2	39%	0.392	27%	0.268	S	S	.	.	H	α-helix	trans	-61.7	-29.3	173.5	-74.1	0	0	0	0	113	F365 K374 S375 L376 I382	F365-S378 VanDerWaalsContact CE2-OG 3.31Å; F365-S378 WeakPolarHBondContact CE2-OG 3.34Å; K374-S378 WeakPolarHBondContact O-CB 3.47Å; K374-S378 PolarHBondContact O-N 3.4Å; K374-S378 PolarHBondContact O-OG 2.63Å; K374-S378 VanDerWaalsContact O-OG 3.04Å; S375-S378 PolarHBondContact O-N 3.28Å; L376-S378 VanDerWaalsContact C-N 3.32Å; L376-S378 PolarHBondContact O-N 2.63Å; S378-I382 WeakPolarHBondContact O-CG1 3.13Å
379	G	98	Very high	96.5	Very high	13 Å²	13	42.6 Å²	42.6	13%	0.134	24%	0.238	C	C	.	.	H	α-helix	trans	-81.9	-43.2	174.5	0	0	0	0	0	113.7	S375 L376 L377 I382 L389	S375-G379 PolarHBondContact O-N 3.49Å; L376-G379 PolarHBondContact O-N 2.7Å; L376-G379 VanDerWaalsContact O-N 3.09Å; L377-G379 PolarHBondContact O-N 3.42Å; G379-I382 WeakPolarHBondContact O-CG1 3.28Å; G379-L389 PolarHBondContact O-N 3.47Å
380	L	98.4	Very high	96.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-70.3	-33.4	-179.3	-70.8	173.5	0	0	0	112.8	W329 L332 M336 L376 L377 I382 R388 L389 I399	W329-L380 HydrophobicContact CB-CD2 4.18Å; L332-L380 HydrophobicContact CD2-CD1 4.18Å; L332-L380 HydrophobicContact CD2-CD2 4.31Å; L332-L380 HydrophobicContact CG-CD1 4.2Å; M336-L380 HydrophobicContact SD-CD1 4.34Å; L376-L380 HydrophobicContact CD1-CD1 3.93Å; L376-L380 HydrophobicContact CD1-CG 4.19Å; L376-L380 HydrophobicContact CD2-CD1 4.3Å; L376-L380 HydrophobicContact CG-CD1 3.81Å; L376-L380 HydrophobicContact CG-CG 4.38Å; L376-L380 WeakPolarHBondContact O-CG 3.39Å; L376-L380 PolarHBondContact O-N 2.75Å; L377-L380 PolarHBondContact O-N 3.22Å; L380-I382 VanDerWaalsContact C-N 3.35Å; L380-R388 WeakPolarHBondContact O-CD 3.14Å; L380-R388 WeakPolarHBondContact O-CG 3.44Å; L380-L389 HydrophobicContact CD2-CB 4.32Å; L380-L389 HydrophobicContact CD2-CD2 4.29Å; L380-L389 HydrophobicContact CG-CD2 4.33Å; L380-I399 HydrophobicContact CD2-CD1 3.77Å; L380-I399 HydrophobicContact CD2-CG1 4.02Å
381	L	98	Very high	96.2	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.016	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	26.9	-177.3	-61.3	172.2	0	0	0	112.6	W330 V334 Y337 P345 I363 L377	W330-L381 HydrophobicContact CD2-CD2 4.06Å; W330-L381 HydrophobicContact CE3-CD2 4.07Å; W330-L381 HydrophobicContact CH2-CD2 4.41Å; W330-L381 HydrophobicContact CZ2-CD2 4.38Å; W330-L381 HydrophobicContact CZ3-CB 4.21Å; W330-L381 HydrophobicContact CZ3-CD2 4.26Å; W330-L381 WeakPolarHBondContact CZ3-O 3.39Å; V334-L381 HydrophobicContact CG2-CD2 3.86Å; Y337-L381 HydrophobicContact CD2-CD1 4.29Å; P345-L381 HydrophobicContact CB-CD1 4.44Å; I363-L381 HydrophobicContact CD1-CB 3.26Å; I363-L381 HydrophobicContact CD1-CD1 4.03Å; I363-L381 HydrophobicContact CD1-CG 4.29Å; I363-L381 WeakPolarHBondContact CD1-O 3.18Å; I363-L381 HydrophobicContact CG1-CB 4.23Å; I363-L381 HydrophobicContact CG1-CD1 4.3Å; I363-L381 HydrophobicContact CG2-CD1 4.32Å; L377-L381 VanDerWaalsContact O-CB 3.28Å; L377-L381 WeakPolarHBondContact O-CB 3.31Å; L377-L381 PolarHBondContact O-N 3.3Å
382	I	96.8	Very high	95.9	Very high	57 Å²	57	37.7 Å²	37.7	29%	0.292	21%	0.209	S	C	.	.			trans	-70.2	133.8	168.4	-66.7	177.5	0	0	0	109.2	S378 G379 L380 D384 K387 R388	S378-I382 WeakPolarHBondContact O-CG1 3.13Å; G379-I382 WeakPolarHBondContact O-CG1 3.28Å; L380-I382 VanDerWaalsContact C-N 3.35Å; I382-D384 HydrophobicContact CG2-CB 4.35Å; I382-D384 WeakPolarHBondContact CG2-O 3.34Å; I382-K387 VanDerWaalsContact CD1-O 3.23Å; I382-K387 WeakPolarHBondContact CD1-O 3.37Å; I382-K387 HydrophobicContact CG2-CB 3.91Å; I382-R388 HydrophobicContact CB-CB 4.27Å; I382-R388 PolarHBondContact O-NE 3.13Å; I382-R388 PolarHBondContact O-NH2 2.93Å; I382-R388 VanDerWaalsContact O-NH2 3.1Å
383	K	93.7	Very high	95.5	Very high	53 Å²	53	40 Å²	40	23%	0.23	23%	0.228	C	C	.	.	S	Bend	trans	-70.8	-37.8	-176	-52.1	-165.7	-173.1	-144.9	0	113.4	P315 I358 L359 E361 P385 R388	P315-K383 HydrophobicContact CB-CB 4.34Å; P315-K383 HydrophobicContact CG-CB 4.1Å; P315-K383 HydrophobicContact CG-CG 4.3Å; I358-K383 PolarHBondContact O-NZ 3.33Å; L359-K383 WeakPolarHBondContact O-CD 3.02Å; L359-K383 PolarHBondContact O-NZ 3.4Å; E361-K383 VanDerWaalsContact N-NZ 3.17Å; E361-K383 VanDerWaalsContact O-CE 3.3Å; E361-K383 WeakPolarHBondContact O-CE 3.28Å; E361-K383 PolarHBondContact O-NZ 3.05Å; K383-P385 WeakPolarHBondContact O-CD 3.5Å; K383-R388 PolarHBondContact O-NH2 2.91Å
384	D	91.4	Very high	95.3	Very high	61 Å²	61	43.6 Å²	43.6	33%	0.326	25%	0.247	S	C	.	.	S	Bend	trans	-76.3	111.8	174	-178.8	-7.4	0	0	0	109.7	I382 N386 K387 R388	I382-D384 HydrophobicContact CG2-CB 4.35Å; I382-D384 WeakPolarHBondContact CG2-O 3.34Å; D384-N386 PolarHBondContact O-N 3.4Å; D384-N386 PolarHBondContact OD1-N 3.24Å; D384-N386 VanDerWaalsContact OD1-N 3.08Å; D384-K387 HydrophobicContact CB-CB 4.27Å; D384-K387 HydrophobicContact CB-CD 4.31Å; D384-K387 HydrophobicContact CB-CG 4.37Å; D384-K387 PolarHBondContact O-N 2.7Å; D384-K387 WeakPolarHBondContact OD2-CD 3.3Å; D384-K387 WeakPolarHBondContact OD2-CE 3.48Å; D384-K387 IonicContact OD2-NZ 2.69Å; D384-R388 PolarHBondContact O-N 2.88Å; D384-R388 VanDerWaalsContact O-N 3.12Å
385	P	92.2	Very high	95.2	Very high	32 Å²	32	41.1 Å²	41.1	21%	0.208	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-27.7	-176.2	24.8	-34.4	0	0	0	113	E316 A326 K383 K387 R388 G391	E316-P385 HydrophobicContact CB-CG 4.27Å; E316-P385 HydrophobicContact CG-CG 4.33Å; A326-P385 HydrophobicContact CB-CB 3.81Å; K383-P385 WeakPolarHBondContact O-CD 3.5Å; P385-K387 VanDerWaalsContact C-N 3.28Å; P385-K387 PolarHBondContact O-N 3.17Å; P385-R388 WeakPolarHBondContact O-CB 3.38Å; P385-R388 PolarHBondContact O-N 3.37Å; P385-G391 WeakPolarHBondContact O-CA 3.38Å
386	N	90.6	Very high	95.1	Very high	106 Å²	106	38.3 Å²	38.3	57%	0.567	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-17.5	179.9	-60.9	-54.4	0	0	0	113.2	D384	D384-N386 PolarHBondContact O-N 3.4Å; D384-N386 PolarHBondContact OD1-N 3.24Å; D384-N386 VanDerWaalsContact OD1-N 3.08Å
387	K	94.1	Very high	95.1	Very high	153 Å²	153	42.4 Å²	42.4	67%	0.665	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-7.7	176.3	-64.4	180	-174.9	173.8	0	112.4	I382 D384 P385	I382-K387 VanDerWaalsContact CD1-O 3.23Å; I382-K387 WeakPolarHBondContact CD1-O 3.37Å; I382-K387 HydrophobicContact CG2-CB 3.91Å; D384-K387 HydrophobicContact CB-CB 4.27Å; D384-K387 HydrophobicContact CB-CD 4.31Å; D384-K387 HydrophobicContact CB-CG 4.37Å; D384-K387 PolarHBondContact O-N 2.7Å; D384-K387 WeakPolarHBondContact OD2-CD 3.3Å; D384-K387 WeakPolarHBondContact OD2-CE 3.48Å; D384-K387 IonicContact OD2-NZ 2.69Å; P385-K387 VanDerWaalsContact C-N 3.28Å; P385-K387 PolarHBondContact O-N 3.17Å
388	R	96.8	Very high	95	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.011	25%	0.247	C	C	.	.	S	Bend	trans	-68.6	141.9	179.5	-170.1	-179.7	-62.4	142.6	6.5	110.2	E316 A326 L380 I382 K383 D384 P385 G390 G391	E316-R388 IonicContact OE1-CZ 2.74Å; E316-R388 IonicContact OE1-NH1 2.79Å; E316-R388 PolarHBondContact OE1-NH1 2.67Å; E316-R388 IonicContact OE1-NH2 3.21Å; E316-R388 PolarHBondContact OE1-NH2 3.35Å; E316-R388 IonicContact OE2-CZ 3.42Å; E316-R388 IonicContact OE2-NH1 3.11Å; E316-R388 IonicContact OE2-NH2 3.45Å; E316-R388 PolarHBondContact OE2-NH2 3.33Å; A326-R388 VanDerWaalsContact C-NH1 3.29Å; A326-R388 PolarHBondContact O-NH1 2.92Å; L380-R388 WeakPolarHBondContact O-CD 3.14Å; L380-R388 WeakPolarHBondContact O-CG 3.44Å; I382-R388 HydrophobicContact CB-CB 4.27Å; I382-R388 PolarHBondContact O-NE 3.13Å; I382-R388 PolarHBondContact O-NH2 2.93Å; I382-R388 VanDerWaalsContact O-NH2 3.1Å; K383-R388 PolarHBondContact O-NH2 2.91Å; D384-R388 PolarHBondContact O-N 2.88Å; D384-R388 VanDerWaalsContact O-N 3.12Å; P385-R388 WeakPolarHBondContact O-CB 3.38Å; P385-R388 PolarHBondContact O-N 3.37Å; R388-G390 PolarHBondContact O-N 3.47Å; R388-G391 WeakPolarHBondContact O-CA 3.41Å; R388-G391 PolarHBondContact O-N 2.89Å
389	L	97.5	Very high	95	Very high	31 Å²	31	42.1 Å²	42.1	16%	0.162	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	122.7	173.8	-173.6	70.9	0	0	0	109.8	L376 G379 L380 G391 E398 I399 H402	L376-L389 HydrophobicContact CD1-CD2 3.66Å; G379-L389 PolarHBondContact O-N 3.47Å; L380-L389 HydrophobicContact CD2-CB 4.32Å; L380-L389 HydrophobicContact CD2-CD2 4.29Å; L380-L389 HydrophobicContact CG-CD2 4.33Å; L389-G391 VanDerWaalsContact C-N 3.27Å; L389-E398 HydrophobicContact CD1-CB 3.93Å; L389-I399 HydrophobicContact CD2-CG1 4Å; L389-I399 HydrophobicContact CG-CG1 3.78Å; L389-H402 HydrophobicContact CD2-CB 4.47Å
390	G	96.1	Very high	95.1	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-1.2	-172.4	0	0	0	0	0	114.8	W329 R388 G392 D395 E398	W329-G390 VanDerWaalsContact CD1-C 3.4Å; W329-G390 PolarHBondContact NE1-O 3.35Å; R388-G390 PolarHBondContact O-N 3.47Å; G390-G392 VanDerWaalsContact C-N 3.26Å; G390-D395 VanDerWaalsContact CA-O 3.26Å; G390-D395 WeakPolarHBondContact CA-O 3.33Å; G390-D395 WeakPolarHBondContact O-CA 3.34Å; G390-E398 PolarHBondContact N-OE2 2.97Å
391	G	92.5	Very high	95	Very high	19 Å²	19	50.4 Å²	50.4	20%	0.196	26%	0.257	C	S	.	.			trans	-75.1	-16.4	171	0	0	0	0	0	113.5	P385 R388 L389	P385-G391 WeakPolarHBondContact O-CA 3.38Å; R388-G391 WeakPolarHBondContact O-CA 3.41Å; R388-G391 PolarHBondContact O-N 2.89Å; L389-G391 VanDerWaalsContact C-N 3.27Å
392	G	90.6	Very high	95	Very high	15 Å²	15	51.6 Å²	51.6	16%	0.155	26%	0.262	C	S	.	.	S	Bend	trans	-77.5	-178.3	178.9	0	0	0	0	0	115	R325 G390 D394 D395	R325-G392 PolarHBondContact NH2-O 2.91Å; G390-G392 VanDerWaalsContact C-N 3.26Å; G392-D394 PolarHBondContact O-N 3.28Å; G392-D395 PolarHBondContact O-N 3.47Å; G392-D395 VanDerWaalsContact O-N 3.16Å
393	P	90.4	Very high	95.1	Very high	115 Å²	115	51.3 Å²	51.3	75%	0.747	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.4	179.3	26.3	-34.6	0	0	0	113.1	R325 D395	R325-P393 PolarHBondContact NH2-O 2.89Å; P393-D395 VanDerWaalsContact C-N 3.28Å; P393-D395 PolarHBondContact O-N 2.87Å
394	D	93.2	Very high	95.3	Very high	76 Å²	76	49 Å²	49	41%	0.406	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-11.7	179.1	-88.3	18.8	0	0	0	113.2	G392 A396 K397 E398 R401	G392-D394 PolarHBondContact O-N 3.28Å; D394-A396 PolarHBondContact O-N 2.96Å; D394-K397 HydrophobicContact CB-CB 4.4Å; D394-K397 VanDerWaalsContact O-CB 3.24Å; D394-K397 WeakPolarHBondContact O-CB 3.3Å; D394-K397 WeakPolarHBondContact O-CG 3.28Å; D394-K397 PolarHBondContact O-N 2.93Å; D394-E398 HydrophobicContact CB-CG 3.56Å; D394-R401 IonicContact OD2-CZ 3.78Å; D394-R401 IonicContact OD2-NH1 3.81Å; D394-R401 PolarHBondContact OD2-NH1 3.36Å; D394-R401 VanDerWaalsContact OD2-NH1 3.09Å; D394-R401 IonicContact OD2-NH2 3.93Å; D394-R401 PolarHBondContact OD2-NH2 3.43Å
395	D	95	Very high	95.7	Very high	12 Å²	12	46.2 Å²	46.2	6%	0.064	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	-126.2	173.3	-165.3	50.3	0	0	0	113	H263 R325 W329 G390 G392 P393 K397 E398	H263-D395 VanDerWaalsContact CB-OD2 3.29Å; H263-D395 WeakPolarHBondContact CB-OD2 3.48Å; H263-D395 IonicContact CE1-OD1 3.95Å; H263-D395 IonicContact CG-OD2 2.7Å; H263-D395 IonicContact ND1-OD1 3.44Å; H263-D395 PolarHBondContact ND1-OD1 2.92Å; H263-D395 IonicContact ND1-OD2 2.63Å; H263-D395 PolarHBondContact ND1-OD2 3.42Å; R325-D395 WeakPolarHBondContact CD-OD1 3.29Å; R325-D395 IonicContact CZ-OD1 2.75Å; R325-D395 IonicContact NE-OD1 2.7Å; R325-D395 PolarHBondContact NE-OD1 2.64Å; R325-D395 IonicContact NE-OD2 2.63Å; W329-D395 PolarHBondContact NE1-OD1 3.19Å; G390-D395 VanDerWaalsContact CA-O 3.26Å; G390-D395 WeakPolarHBondContact CA-O 3.33Å; G390-D395 WeakPolarHBondContact O-CA 3.34Å; G392-D395 PolarHBondContact O-N 3.47Å; G392-D395 VanDerWaalsContact O-N 3.16Å; P393-D395 VanDerWaalsContact C-N 3.28Å; P393-D395 PolarHBondContact O-N 2.87Å; D395-K397 PolarHBondContact O-N 3.45Å; D395-E398 PolarHBondContact O-N 3.37Å; D395-E398 VanDerWaalsContact O-N 3.12Å
396	A	97.2	Very high	95.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-53.4	-28.8	179	0	0	0	0	0	113.4	V256 D260 W329 D394 E398 I399 M400	V256-A396 HydrophobicContact CG1-CB 4.37Å; D260-A396 HydrophobicContact CB-CB 3.49Å; D260-A396 VanDerWaalsContact CB-CB 3.49Å; D260-A396 WeakPolarHBondContact OD1-CB 3.38Å; W329-A396 HydrophobicContact CH2-CB 3.6Å; W329-A396 HydrophobicContact CZ2-CB 3.64Å; D394-A396 PolarHBondContact O-N 2.96Å; A396-E398 PolarHBondContact O-N 3.24Å; A396-I399 PolarHBondContact O-N 3.41Å; A396-I399 VanDerWaalsContact O-N 3.09Å; A396-M400 HydrophobicContact CB-SD 4.33Å; A396-M400 WeakPolarHBondContact O-CG 3.2Å; A396-M400 PolarHBondContact O-N 3.42Å
397	K	97.4	Very high	96	Very high	86 Å²	86	48.3 Å²	48.3	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-65.2	-29.4	-176.6	-53.1	-46	-176.6	-159	0	112.3	D260 D394 D395 M400 R401	D260-K397 IonicContact OD1-NZ 3.68Å; D260-K397 IonicContact OD2-NZ 2.89Å; D260-K397 PolarHBondContact OD2-NZ 3.38Å; D394-K397 HydrophobicContact CB-CB 4.4Å; D394-K397 VanDerWaalsContact O-CB 3.24Å; D394-K397 WeakPolarHBondContact O-CB 3.3Å; D394-K397 WeakPolarHBondContact O-CG 3.28Å; D394-K397 PolarHBondContact O-N 2.93Å; D395-K397 PolarHBondContact O-N 3.45Å; K397-M400 HydrophobicContact CD-SD 3.52Å; K397-M400 VanDerWaalsContact CD-SD 3.52Å; K397-R401 VanDerWaalsContact O-CG 3.29Å; K397-R401 WeakPolarHBondContact O-CG 3.35Å; K397-R401 VanDerWaalsContact O-CZ 3.29Å; K397-R401 PolarHBondContact O-N 3.02Å; K397-R401 PolarHBondContact O-NE 3.09Å; K397-R401 VanDerWaalsContact O-NE 3.15Å
398	E	97.4	Very high	96.2	Very high	50 Å²	50	42.3 Å²	42.3	23%	0.234	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-45.9	172.9	-62.3	-177.1	-178.1	0	0	111.4	L389 G390 D394 D395 A396 R401 H402	L389-E398 HydrophobicContact CD1-CB 3.93Å; G390-E398 PolarHBondContact N-OE2 2.97Å; D394-E398 HydrophobicContact CB-CG 3.56Å; D395-E398 PolarHBondContact O-N 3.37Å; D395-E398 VanDerWaalsContact O-N 3.12Å; A396-E398 PolarHBondContact O-N 3.24Å; E398-R401 PolarHBondContact O-N 3.45Å; E398-H402 PolarHBondContact O-N 3.34Å
399	I	98.4	Very high	96.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.8	-42.3	179.2	-58.8	166.3	0	0	0	110	V256 W329 L332 L376 L380 L389 A396 R401 H402 F405	V256-I399 HydrophobicContact CG1-CG2 4.46Å; V256-I399 HydrophobicContact CG2-CG2 3.79Å; W329-I399 HydrophobicContact CB-CD1 4.28Å; W329-I399 HydrophobicContact CD2-CD1 3.23Å; W329-I399 HydrophobicContact CE3-CD1 3.14Å; W329-I399 HydrophobicContact CG-CD1 3.76Å; W329-I399 HydrophobicContact CH2-CD1 4.03Å; W329-I399 HydrophobicContact CZ2-CD1 4.11Å; W329-I399 HydrophobicContact CZ3-CD1 3.56Å; L332-I399 HydrophobicContact CD2-CD1 4.49Å; L332-I399 HydrophobicContact CD2-CG2 4.48Å; L376-I399 HydrophobicContact CD1-CG2 4.4Å; L380-I399 HydrophobicContact CD2-CD1 3.77Å; L380-I399 HydrophobicContact CD2-CG1 4.02Å; L389-I399 HydrophobicContact CD2-CG1 4Å; L389-I399 HydrophobicContact CG-CG1 3.78Å; A396-I399 PolarHBondContact O-N 3.41Å; A396-I399 VanDerWaalsContact O-N 3.09Å; I399-R401 PolarHBondContact O-N 2.92Å; I399-H402 VanDerWaalsContact O-CB 3.29Å; I399-H402 WeakPolarHBondContact O-CB 3.3Å; I399-H402 PolarHBondContact O-N 3.06Å; I399-H402 VanDerWaalsContact O-N 3.08Å; I399-F405 HydrophobicContact CG2-CD2 4.33Å; I399-F405 HydrophobicContact CG2-CE2 3.75Å; I399-F405 WeakPolarHBondContact O-CD2 3.47Å
400	M	98.4	Very high	96.2	Very high	31 Å²	31	46.5 Å²	46.5	15%	0.153	27%	0.273	C	S	.	.	H	α-helix	trans	-62.4	-26	-179.3	-68.8	169.3	82.7	0	0	113.9	V256 A396 K397 W410	V256-M400 HydrophobicContact CG1-CG 3.82Å; A396-M400 HydrophobicContact CB-SD 4.33Å; A396-M400 WeakPolarHBondContact O-CG 3.2Å; A396-M400 PolarHBondContact O-N 3.42Å; K397-M400 HydrophobicContact CD-SD 3.52Å; K397-M400 VanDerWaalsContact CD-SD 3.52Å; M400-W410 HydrophobicContact CB-CD2 4.17Å; M400-W410 HydrophobicContact CB-CH2 4.28Å; M400-W410 HydrophobicContact CB-CZ2 3.65Å; M400-W410 HydrophobicContact CE-CB 3.48Å; M400-W410 VanDerWaalsContact CE-CB 3.48Å; M400-W410 HydrophobicContact CE-CD2 3.25Å; M400-W410 HydrophobicContact CE-CE3 3.59Å; M400-W410 HydrophobicContact CE-CG 3.17Å; M400-W410 HydrophobicContact CE-CZ3 4.43Å; M400-W410 HydrophobicContact CG-CD2 3.79Å; M400-W410 HydrophobicContact CG-CE3 3.95Å; M400-W410 HydrophobicContact CG-CH2 3.74Å; M400-W410 HydrophobicContact CG-CZ2 3.6Å; M400-W410 HydrophobicContact CG-CZ3 3.9Å; M400-W410 PolarHBondContact O-NE1 2.87Å; M400-W410 VanDerWaalsContact O-NE1 3.15Å; M400-W410 HydrophobicContact SD-CD2 4.35Å; M400-W410 HydrophobicContact SD-CE3 4.45Å
401	R	97.7	Very high	96.3	Very high	156 Å²	156	51.5 Å²	51.5	59%	0.589	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-5.8	178.4	-67.8	178.8	-58.7	-122.8	3.4	113.5	D394 K397 E398 I399	D394-R401 IonicContact OD2-CZ 3.78Å; D394-R401 IonicContact OD2-NH1 3.81Å; D394-R401 PolarHBondContact OD2-NH1 3.36Å; D394-R401 VanDerWaalsContact OD2-NH1 3.09Å; D394-R401 IonicContact OD2-NH2 3.93Å; D394-R401 PolarHBondContact OD2-NH2 3.43Å; K397-R401 VanDerWaalsContact O-CG 3.29Å; K397-R401 WeakPolarHBondContact O-CG 3.35Å; K397-R401 VanDerWaalsContact O-CZ 3.29Å; K397-R401 PolarHBondContact O-N 3.02Å; K397-R401 PolarHBondContact O-NE 3.09Å; K397-R401 VanDerWaalsContact O-NE 3.15Å; E398-R401 PolarHBondContact O-N 3.45Å; I399-R401 PolarHBondContact O-N 2.92Å
402	H	98.4	Very high	96.6	Very high	27 Å²	27	52.7 Å²	52.7	13%	0.125	30%	0.298	C	S	.	.	S	Bend	trans	-67.4	144.5	-177.6	-171.4	-85.4	0	0	0	111.6	D372 S375 L376 L389 E398 I399 F404 F405	D372-H402 PolarHBondContact O-CE1 3.42Å; S375-H402 PolarHBondContact OG-NE2 3.02Å; L376-H402 VanDerWaalsContact CA-CE1 3.47Å; L376-H402 WeakPolarHBondContact CA-CE1 3.37Å; L376-H402 HydrophobicContact CD1-CB 4.17Å; L376-H402 PolarHBondContact N-CE1 3.07Å; L376-H402 PolarHBondContact N-NE2 3.48Å; L389-H402 HydrophobicContact CD2-CB 4.47Å; E398-H402 PolarHBondContact O-N 3.34Å; I399-H402 VanDerWaalsContact O-CB 3.29Å; I399-H402 WeakPolarHBondContact O-CB 3.3Å; I399-H402 PolarHBondContact O-N 3.06Å; I399-H402 VanDerWaalsContact O-N 3.08Å; H402-F404 WeakPolarHBondContact ND1-CB 3.31Å; H402-F404 PolarHBondContact ND1-N 3.13Å; H402-F404 VanDerWaalsContact ND1-N 3.19Å; H402-F404 PolarHBondContact O-N 2.94Å; H402-F404 VanDerWaalsContact O-N 3.11Å; H402-F405 PolarHBondContact O-N 2.97Å
403	S	97.9	Very high	96.9	Very high	52 Å²	52	52 Å²	52	36%	0.364	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-56.6	-31.9	-174.9	59.1	0	0	0	0	113.9	D372 F405 S406	D372-S403 VanDerWaalsContact CG-OG 3.3Å; D372-S403 WeakPolarHBondContact OD1-CB 3.46Å; D372-S403 PolarHBondContact OD1-OG 2.84Å; S403-F405 PolarHBondContact O-N 2.75Å; S403-S406 WeakPolarHBondContact O-CB 3.39Å; S403-S406 PolarHBondContact O-N 3.14Å
404	F	98.6	Very high	97.3	Very high	3 Å²	3	51.2 Å²	51.2	1%	0.013	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-56.2	-31.6	174.2	-173.1	-97.8	0	0	0	113.7	E245 R249 M336 M340 D372 A373 L376 H402	E245-F404 HydrophobicContact CB-CE2 4.22Å; E245-F404 HydrophobicContact CB-CZ 4.44Å; R249-F404 HydrophobicContact CB-CD1 4.42Å; R249-F404 HydrophobicContact CB-CE1 3.68Å; R249-F404 HydrophobicContact CB-CZ 4.03Å; R249-F404 WeakPolarHBondContact CD-O 3.29Å; R249-F404 HydrophobicContact CG-CD1 4.22Å; R249-F404 HydrophobicContact CG-CE1 3.97Å; R249-F404 PolarHBondContact NE-O 3.11Å; M336-F404 HydrophobicContact CE-CD1 4.08Å; M336-F404 HydrophobicContact CE-CE1 3.48Å; M336-F404 VanDerWaalsContact CE-CE1 3.48Å; M336-F404 HydrophobicContact CE-CZ 4.23Å; M340-F404 HydrophobicContact CE-CZ 4.46Å; M340-F404 HydrophobicContact SD-CE2 4.12Å; M340-F404 HydrophobicContact SD-CZ 3.93Å; D372-F404 HydrophobicContact CB-CB 4.26Å; D372-F404 HydrophobicContact CB-CD2 4.26Å; A373-F404 HydrophobicContact CB-CD2 3.96Å; A373-F404 HydrophobicContact CB-CE2 3.71Å; L376-F404 HydrophobicContact CB-CB 4Å; L376-F404 HydrophobicContact CB-CG 4.33Å; L376-F404 HydrophobicContact CD2-CB 3.93Å; L376-F404 HydrophobicContact CD2-CD1 3.36Å; L376-F404 HydrophobicContact CD2-CE1 3.96Å; L376-F404 HydrophobicContact CD2-CG 3.69Å; L376-F404 HydrophobicContact CG-CB 4.44Å; H402-F404 WeakPolarHBondContact ND1-CB 3.31Å; H402-F404 PolarHBondContact ND1-N 3.13Å; H402-F404 VanDerWaalsContact ND1-N 3.19Å; H402-F404 PolarHBondContact O-N 2.94Å; H402-F404 VanDerWaalsContact O-N 3.11Å
405	F	98.4	Very high	97.5	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.018	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-98.4	15.8	175.5	-62.8	-73.1	0	0	0	112.8	R249 A253 V256 M336 L376 I399 H402 S403 G407 V408 W410	R249-F405 HydrophobicContact CG-CD1 3.71Å; R249-F405 HydrophobicContact CG-CE1 4.07Å; A253-F405 HydrophobicContact CB-CD1 4.2Å; A253-F405 HydrophobicContact CB-CE1 4.09Å; V256-F405 HydrophobicContact CG2-CZ 4.48Å; M336-F405 HydrophobicContact CE-CE1 4.5Å; M336-F405 HydrophobicContact CE-CZ 3.88Å; M336-F405 HydrophobicContact SD-CZ 4.33Å; L376-F405 HydrophobicContact CD1-CE2 4.07Å; L376-F405 HydrophobicContact CD2-CE2 3.79Å; L376-F405 HydrophobicContact CD2-CZ 4.14Å; I399-F405 HydrophobicContact CG2-CD2 4.33Å; I399-F405 HydrophobicContact CG2-CE2 3.75Å; I399-F405 WeakPolarHBondContact O-CD2 3.47Å; H402-F405 PolarHBondContact O-N 2.97Å; S403-F405 PolarHBondContact O-N 2.75Å; F405-G407 PolarHBondContact O-N 2.91Å; F405-V408 HydrophobicContact CB-CB 4.45Å; F405-V408 HydrophobicContact CB-CG2 4.21Å; F405-V408 HydrophobicContact CD1-CG2 4.31Å; F405-V408 VanDerWaalsContact O-CB 3.3Å; F405-V408 WeakPolarHBondContact O-CB 3.46Å; F405-V408 WeakPolarHBondContact O-CG2 2.98Å; F405-V408 PolarHBondContact O-N 3.44Å; F405-W410 HydrophobicContact CB-CZ2 3.82Å; F405-W410 HydrophobicContact CD1-CH2 4.16Å; F405-W410 HydrophobicContact CD1-CZ2 4.21Å; F405-W410 HydrophobicContact CD2-CZ2 4.39Å; F405-W410 HydrophobicContact CE1-CH2 4.49Å; F405-W410 HydrophobicContact CG-CH2 4.19Å; F405-W410 AromaticContact CG-CZ2 3.9Å; F405-W410 HydrophobicContact CG-CZ2 3.9Å
406	S	96.2	Very high	97.6	Very high	98 Å²	98	53.1 Å²	53.1	69%	0.685	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	131.4	174.3	-175.3	0	0	0	0	110.7	S403 V408	S403-S406 WeakPolarHBondContact O-CB 3.39Å; S403-S406 PolarHBondContact O-N 3.14Å; S406-V408 VanDerWaalsContact C-N 3.32Å
407	G	94	Very high	97.6	Very high	83 Å²	83	59 Å²	59	86%	0.856	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	-5.8	-176.9	0	0	0	0	0	115.4	F405 N409	F405-G407 PolarHBondContact O-N 2.91Å; G407-N409 PolarHBondContact O-N 2.86Å
408	V	97.2	Very high	97.4	Very high	28 Å²	28	57.5 Å²	57.5	17%	0.17	30%	0.302	C	S	.	.			trans	-75.2	118.9	173.2	177.7	0	0	0	0	109.8	R249 A253 F405 S406 W410 V413	R249-V408 HydrophobicContact CG-CG2 4.19Å; A253-V408 HydrophobicContact CB-CG1 4.13Å; F405-V408 HydrophobicContact CB-CB 4.45Å; F405-V408 HydrophobicContact CB-CG2 4.21Å; F405-V408 HydrophobicContact CD1-CG2 4.31Å; F405-V408 VanDerWaalsContact O-CB 3.3Å; F405-V408 WeakPolarHBondContact O-CB 3.46Å; F405-V408 WeakPolarHBondContact O-CG2 2.98Å; F405-V408 PolarHBondContact O-N 3.44Å; S406-V408 VanDerWaalsContact C-N 3.32Å; V408-W410 HydrophobicContact CG1-CD2 4.23Å; V408-W410 HydrophobicContact CG1-CZ2 4.35Å; V408-W410 PolarHBondContact O-N 3.06Å; V408-V413 HydrophobicContact CG1-CG2 3.48Å; V408-V413 VanDerWaalsContact CG1-CG2 3.48Å
409	N	97.8	Very high	97.3	Very high	77 Å²	77	61.2 Å²	61.2	41%	0.412	33%	0.328	S	S	.	.			trans	-84.7	106.6	166.6	-178.4	-13.5	0	0	0	109.5	G407 Q411 D412 V413	G407-N409 PolarHBondContact O-N 2.86Å; N409-Q411 VanDerWaalsContact C-N 3.26Å; N409-Q411 PolarHBondContact O-N 2.93Å; N409-Q411 WeakPolarHBondContact OD1-CB 3.49Å; N409-Q411 PolarHBondContact OD1-N 2.94Å; N409-D412 HydrophobicContact CB-CB 3.98Å; N409-D412 WeakPolarHBondContact CB-OD2 3.35Å; N409-D412 VanDerWaalsContact CG-OD2 3.27Å; N409-D412 VanDerWaalsContact ND2-CG 3.29Å; N409-D412 PolarHBondContact ND2-OD2 2.85Å; N409-D412 WeakPolarHBondContact O-CB 3.29Å; N409-D412 PolarHBondContact O-N 3.41Å; N409-D412 PolarHBondContact OD1-N 2.84Å; N409-V413 WeakPolarHBondContact O-CG2 3.26Å; N409-V413 PolarHBondContact O-N 2.86Å
410	W	97.9	Very high	97.2	Very high	44 Å²	44	62.4 Å²	62.4	17%	0.167	34%	0.336	C	S	.	.	H	α-helix	trans	-64.8	-26	-176.8	-65.9	98.5	0	0	0	114.4	A253 V256 M400 F405 V408 V413 Y414	A253-W410 HydrophobicContact CB-CH2 4.01Å; A253-W410 HydrophobicContact CB-CZ3 3.93Å; A253-W410 WeakPolarHBondContact O-CZ3 3.11Å; V256-W410 HydrophobicContact CB-CH2 4.03Å; V256-W410 HydrophobicContact CB-CZ3 3.89Å; V256-W410 HydrophobicContact CG1-CH2 3.77Å; V256-W410 HydrophobicContact CG1-CZ3 3.68Å; M400-W410 HydrophobicContact CB-CD2 4.17Å; M400-W410 HydrophobicContact CB-CH2 4.28Å; M400-W410 HydrophobicContact CB-CZ2 3.65Å; M400-W410 HydrophobicContact CE-CB 3.48Å; M400-W410 VanDerWaalsContact CE-CB 3.48Å; M400-W410 HydrophobicContact CE-CD2 3.25Å; M400-W410 HydrophobicContact CE-CE3 3.59Å; M400-W410 HydrophobicContact CE-CG 3.17Å; M400-W410 HydrophobicContact CE-CZ3 4.43Å; M400-W410 HydrophobicContact CG-CD2 3.79Å; M400-W410 HydrophobicContact CG-CE3 3.95Å; M400-W410 HydrophobicContact CG-CH2 3.74Å; M400-W410 HydrophobicContact CG-CZ2 3.6Å; M400-W410 HydrophobicContact CG-CZ3 3.9Å; M400-W410 PolarHBondContact O-NE1 2.87Å; M400-W410 VanDerWaalsContact O-NE1 3.15Å; M400-W410 HydrophobicContact SD-CD2 4.35Å; M400-W410 HydrophobicContact SD-CE3 4.45Å; F405-W410 HydrophobicContact CB-CZ2 3.82Å; F405-W410 HydrophobicContact CD1-CH2 4.16Å; F405-W410 HydrophobicContact CD1-CZ2 4.21Å; F405-W410 HydrophobicContact CD2-CZ2 4.39Å; F405-W410 HydrophobicContact CE1-CH2 4.49Å; F405-W410 HydrophobicContact CG-CH2 4.19Å; F405-W410 AromaticContact CG-CZ2 3.9Å; F405-W410 HydrophobicContact CG-CZ2 3.9Å; V408-W410 HydrophobicContact CG1-CD2 4.23Å; V408-W410 HydrophobicContact CG1-CZ2 4.35Å; V408-W410 PolarHBondContact O-N 3.06Å; W410-V413 WeakPolarHBondContact O-CB 3.47Å; W410-Y414 PolarHBondContact O-N 2.85Å
411	Q	97.8	Very high	97	Very high	106 Å²	106	64.2 Å²	64.2	50%	0.495	35%	0.35	S	S	.	.	H	α-helix	trans	-71.7	-38.4	171.6	-170.6	61.3	50.9	0	0	110.9	N409 V413 Y414 D415	N409-Q411 VanDerWaalsContact C-N 3.26Å; N409-Q411 PolarHBondContact O-N 2.93Å; N409-Q411 WeakPolarHBondContact OD1-CB 3.49Å; N409-Q411 PolarHBondContact OD1-N 2.94Å; Q411-V413 VanDerWaalsContact C-N 3.31Å; Q411-V413 PolarHBondContact O-N 2.88Å; Q411-Y414 PolarHBondContact O-N 2.91Å; Q411-D415 PolarHBondContact NE2-OD1 3.34Å; Q411-D415 WeakPolarHBondContact O-CB 3.23Å; Q411-D415 PolarHBondContact O-N 2.8Å
412	D	98.2	Very high	96.8	Very high	44 Å²	44	59.1 Å²	59.1	24%	0.235	33%	0.332	C	S	.	.	H	α-helix	trans	-70.3	-29.3	176.1	-67.2	-23.6	0	0	0	112.2	N409 K416 K417 L418	N409-D412 HydrophobicContact CB-CB 3.98Å; N409-D412 WeakPolarHBondContact CB-OD2 3.35Å; N409-D412 VanDerWaalsContact CG-OD2 3.27Å; N409-D412 VanDerWaalsContact ND2-CG 3.29Å; N409-D412 PolarHBondContact ND2-OD2 2.85Å; N409-D412 WeakPolarHBondContact O-CB 3.29Å; N409-D412 PolarHBondContact O-N 3.41Å; N409-D412 PolarHBondContact OD1-N 2.84Å; D412-K416 PolarHBondContact O-N 2.69Å; D412-K417 HydrophobicContact CB-CB 3.96Å; D412-K417 HydrophobicContact CB-CD 4.28Å; D412-K417 PolarHBondContact O-N 3.31Å; D412-K417 WeakPolarHBondContact OD1-CD 3.2Å; D412-K417 IonicContact OD1-NZ 2.88Å; D412-L418 HydrophobicContact CB-CD2 4.01Å; D412-L418 HydrophobicContact CB-CG 4.42Å
413	V	98.2	Very high	96.5	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.006	35%	0.352	C	S	.	.	H	α-helix	trans	-60	-59.2	166.7	173.1	0	0	0	0	109.3	F207 A253 E254 V408 N409 W410 Q411 D415 K416 L418	F207-V413 HydrophobicContact CE2-CG1 3.73Å; F207-V413 WeakPolarHBondContact CE2-O 3.34Å; F207-V413 HydrophobicContact CZ-CG1 4.22Å; F207-V413 WeakPolarHBondContact CZ-O 3.17Å; A253-V413 HydrophobicContact CB-CG1 4.41Å; A253-V413 HydrophobicContact CB-CG2 4.09Å; E254-V413 HydrophobicContact CG-CG1 4.24Å; V408-V413 HydrophobicContact CG1-CG2 3.48Å; V408-V413 VanDerWaalsContact CG1-CG2 3.48Å; N409-V413 WeakPolarHBondContact O-CG2 3.26Å; N409-V413 PolarHBondContact O-N 2.86Å; W410-V413 WeakPolarHBondContact O-CB 3.47Å; Q411-V413 VanDerWaalsContact C-N 3.31Å; Q411-V413 PolarHBondContact O-N 2.88Å; V413-D415 VanDerWaalsContact C-N 3.3Å; V413-D415 PolarHBondContact O-N 2.96Å; V413-K416 PolarHBondContact O-N 3.1Å; V413-L418 HydrophobicContact CG2-CD1 3.5Å; V413-L418 VanDerWaalsContact CG2-CD1 3.5Å; V413-L418 HydrophobicContact CG2-CG 4.34Å
414	Y	97.7	Very high	96.2	Very high	98 Å²	98	61.7 Å²	61.7	38%	0.384	34%	0.337	S	S	.	.	H	α-helix	trans	-56.2	-42.8	-179.7	-175.8	-88.3	0	0	0	112.6	H205 P206 W410 Q411 K416	H205-Y414 AromaticContact CD2-CD2 3.98Å; H205-Y414 AromaticContact CD2-CE2 3.55Å; H205-Y414 AromaticContact NE2-CD2 3.52Å; H205-Y414 AromaticContact NE2-CE2 3.62Å; P206-Y414 HydrophobicContact CG-CD2 4.14Å; P206-Y414 HydrophobicContact CG-CE2 4.25Å; P206-Y414 HydrophobicContact CG-CG 4.44Å; P206-Y414 VanDerWaalsContact CG-O 3.29Å; P206-Y414 WeakPolarHBondContact CG-O 3.14Å; W410-Y414 PolarHBondContact O-N 2.85Å; Q411-Y414 PolarHBondContact O-N 2.91Å; Y414-K416 PolarHBondContact O-N 3.02Å; Y414-K416 VanDerWaalsContact O-N 3.14Å
415	D	97.6	Very high	95.9	Very high	66 Å²	66	68.4 Å²	68.4	35%	0.353	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	3.8	-179.1	-65.1	-14.5	0	0	0	113.6	Q411 V413 K417	Q411-D415 PolarHBondContact NE2-OD1 3.34Å; Q411-D415 WeakPolarHBondContact O-CB 3.23Å; Q411-D415 PolarHBondContact O-N 2.8Å; V413-D415 VanDerWaalsContact C-N 3.3Å; V413-D415 PolarHBondContact O-N 2.96Å; D415-K417 HydrophobicContact CB-CD 3.84Å; D415-K417 HydrophobicContact CB-CG 3.93Å; D415-K417 PolarHBondContact O-N 3.03Å; D415-K417 WeakPolarHBondContact OD2-CE 3.43Å; D415-K417 IonicContact OD2-NZ 3.3Å; D415-K417 PolarHBondContact OD2-NZ 3.23Å
416	K	97.1	Very high	95.4	Very high	62 Å²	62	69.8 Å²	69.8	27%	0.27	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	37.9	-173.7	-64.6	-168.6	169.6	-165.2	0	113.5	P206 F207 D280 D412 V413 Y414	P206-K416 HydrophobicContact CB-CD 4.29Å; P206-K416 HydrophobicContact CB-CG 4.09Å; P206-K416 WeakPolarHBondContact O-CE 3.19Å; P206-K416 PolarHBondContact O-NZ 3.31Å; F207-K416 HydrophobicContact CE1-CD 4.26Å; F207-K416 HydrophobicContact CE1-CG 3.77Å; F207-K416 HydrophobicContact CZ-CG 4.01Å; D280-K416 IonicContact OD2-NZ 3.12Å; D280-K416 PolarHBondContact OD2-NZ 3.33Å; D412-K416 PolarHBondContact O-N 2.69Å; V413-K416 PolarHBondContact O-N 3.1Å; Y414-K416 PolarHBondContact O-N 3.02Å; Y414-K416 VanDerWaalsContact O-N 3.14Å
417	K	96.8	Very high	94.9	Very high	124 Å²	124	69.9 Å²	69.9	54%	0.539	37%	0.374	S	S	.	.			trans	-87.4	-19.4	178.5	-72.8	167.8	179.3	156.7	0	113.3	D412 D415	D412-K417 HydrophobicContact CB-CB 3.96Å; D412-K417 HydrophobicContact CB-CD 4.28Å; D412-K417 PolarHBondContact O-N 3.31Å; D412-K417 WeakPolarHBondContact OD1-CD 3.2Å; D412-K417 IonicContact OD1-NZ 2.88Å; D415-K417 HydrophobicContact CB-CD 3.84Å; D415-K417 HydrophobicContact CB-CG 3.93Å; D415-K417 PolarHBondContact O-N 3.03Å; D415-K417 WeakPolarHBondContact OD2-CE 3.43Å; D415-K417 IonicContact OD2-NZ 3.3Å; D415-K417 PolarHBondContact OD2-NZ 3.23Å
418	L	94.3	Very high	94.6	Very high	53 Å²	53	68.5 Å²	68.5	28%	0.277	35%	0.351	S	S	.	.	S	Bend	trans	-71.6	137.1	174.8	-58.4	-169.6	0	0	0	110.2	F250 H284 D412 V413 P420	F250-L418 HydrophobicContact CD2-CB 4.21Å; F250-L418 HydrophobicContact CE2-CB 3.63Å; H284-L418 PolarHBondContact CE1-O 3.08Å; D412-L418 HydrophobicContact CB-CD2 4.01Å; D412-L418 HydrophobicContact CB-CG 4.42Å; V413-L418 HydrophobicContact CG2-CD1 3.5Å; V413-L418 VanDerWaalsContact CG2-CD1 3.5Å; V413-L418 HydrophobicContact CG2-CG 4.34Å; L418-P420 WeakPolarHBondContact O-CD 3.21Å
419	V	94.7	Very high	93.9	Very high	128 Å²	128	73.4 Å²	73.4	78%	0.776	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-77.4	122.5	178.1	-179.9	0	0	0	0	109.3
420	P	95.5	Very high	93.1	Very high	26 Å²	26	72 Å²	72	17%	0.169	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-59.6	135.3	176.2	-27.2	37.2	0	0	0	112.1	F250 D282 H284 L418 F422	F250-P420 HydrophobicContact CE1-CB 4.13Å; F250-P420 HydrophobicContact CE1-CG 4.38Å; F250-P420 HydrophobicContact CZ-CB 3.91Å; F250-P420 HydrophobicContact CZ-CG 3.8Å; D282-P420 WeakPolarHBondContact O-CG 3.29Å; H284-P420 WeakPolarHBondContact NE2-CG 3.39Å; L418-P420 WeakPolarHBondContact O-CD 3.21Å; P420-F422 PolarHBondContact O-N 3.37Å
421	P	94.5	Very high	92.5	Very high	69 Å²	69	70.6 Å²	70.6	45%	0.448	36%	0.362	S	S	.	.	S	Bend	trans	-68.9	-16.7	178.8	29.9	-37.1	0	0	0	112.5	R247 F250	R247-P421 HydrophobicContact CB-CB 4.27Å; R247-P421 HydrophobicContact CB-CG 4.01Å; R247-P421 HydrophobicContact CG-CB 4.37Å; R247-P421 HydrophobicContact CG-CG 3.74Å; F250-P421 HydrophobicContact CB-CG 4.14Å; F250-P421 VanDerWaalsContact CD1-CD 3.45Å; F250-P421 HydrophobicContact CD1-CG 4.15Å; F250-P421 VanDerWaalsContact CG-CD 3.46Å; F250-P421 HydrophobicContact CG-CG 4.12Å
422	F	93.7	Very high	91.9	Very high	48 Å²	48	66.1 Å²	66.1	21%	0.211	34%	0.342	C	S	.	.			trans	-141.4	129.5	178.8	170.7	-99.2	0	0	0	109.4	H236 L279 G283 P420 P424	H236-F422 AromaticContact CE1-CE1 3.48Å; H236-F422 VanDerWaalsContact CE1-CE1 3.48Å; H236-F422 WeakPolarHBondContact CE1-CE1 3.41Å; H236-F422 AromaticContact CE1-CZ 3.7Å; H236-F422 AromaticContact ND1-CE1 3.54Å; H236-F422 AromaticContact ND1-CZ 3.58Å; H236-F422 AromaticContact NE2-CE1 3.92Å; L279-F422 HydrophobicContact CD1-CD1 3.78Å; L279-F422 HydrophobicContact CD1-CE1 4.03Å; G283-F422 WeakPolarHBondContact CA-O 3.31Å; P420-F422 PolarHBondContact O-N 3.37Å; F422-P424 HydrophobicContact CD1-CG 4.3Å; F422-P424 HydrophobicContact CE1-CB 4.25Å; F422-P424 HydrophobicContact CE1-CG 3.82Å
423	K	93.1	Very high	91.4	Very high	127 Å²	127	69.5 Å²	69.5	55%	0.552	35%	0.351	S	S	*	.			trans	-109.9	118.4	172.6	-174.2	165.8	-173.8	148.6	0	109.4	K281 D282	K281-K423 WeakPolarHBondContact O-CE 3.26Å; D282-K423 IonicContact OD1-NZ 3.54Å; D282-K423 PolarHBondContact OD1-NZ 2.89Å
424	P	91.7	Very high	90.8	Very high	6 Å²	6	70.4 Å²	70.4	4%	0.039	36%	0.355	C	S	.	.			trans	-56.5	143.6	175.3	-25.3	34.4	0	0	0	112.1	L279 F422 V426 Y434	L279-P424 HydrophobicContact CB-CG 4Å; L279-P424 HydrophobicContact CD1-CG 4.16Å; F422-P424 HydrophobicContact CD1-CG 4.3Å; F422-P424 HydrophobicContact CE1-CB 4.25Å; F422-P424 HydrophobicContact CE1-CG 3.82Å; P424-V426 HydrophobicContact CB-CG2 4.04Å; P424-V426 PolarHBondContact O-N 2.78Å; P424-Y434 HydrophobicContact CB-CE2 3.86Å
425	Q	90.9	Very high	90.1	Very high	144 Å²	144	67.2 Å²	67.2	67%	0.673	34%	0.343	S	S	*	.			trans	-83.9	51.1	-180	-63.6	-178.7	-12	0	0	111.5	R433 Y434	Q425-R433 VanDerWaalsContact O-CZ 3.22Å; Q425-R433 PolarHBondContact O-NE 3.49Å; Q425-R433 PolarHBondContact O-NH1 3.21Å; Q425-Y434 PolarHBondContact N-OH 3.3Å
426	V	88.3	Confident	89.4	Confident	33 Å²	33	68.1 Å²	68.1	20%	0.2	35%	0.348	C	S	.	.			trans	-69.5	126.9	176	171.4	0	0	0	0	109.2	N229 K281 P424 S428 D431 Y434	N229-V426 VanDerWaalsContact ND2-CG1 3.26Å; N229-V426 WeakPolarHBondContact ND2-CG1 3.4Å; N229-V426 WeakPolarHBondContact O-CG2 3.41Å; K281-V426 HydrophobicContact CB-CB 4.49Å; K281-V426 HydrophobicContact CB-CG1 4.44Å; P424-V426 HydrophobicContact CB-CG2 4.04Å; P424-V426 PolarHBondContact O-N 2.78Å; V426-S428 VanDerWaalsContact CG1-O 3.26Å; V426-S428 WeakPolarHBondContact CG1-O 3.4Å; V426-D431 HydrophobicContact CG1-CB 4.05Å; V426-Y434 HydrophobicContact CG2-CD2 4.46Å; V426-Y434 HydrophobicContact CG2-CE2 4.04Å
427	T	86	Confident	88.7	Confident	101 Å²	101	72.7 Å²	72.7	62%	0.62	37%	0.37	S	S	*	.			trans	-100.2	-19	-176.4	54.5	0	0	0	0	114.5	D431 R433	T427-D431 PolarHBondContact N-OD2 3.1Å; T427-D431 PolarHBondContact OG1-OD2 3.36Å; T427-R433 PolarHBondContact OG1-NH2 3.46Å
428	S	86.7	Confident	87.9	Confident	53 Å²	53	72.9 Å²	72.9	37%	0.371	37%	0.373	S	S	.	.	S	Bend	trans	-155.8	165.5	178.4	66.5	0	0	0	0	111	V426 T430 D431	V426-S428 VanDerWaalsContact CG1-O 3.26Å; V426-S428 WeakPolarHBondContact CG1-O 3.4Å; S428-T430 PolarHBondContact O-N 2.77Å; S428-T430 PolarHBondContact OG-OG1 2.81Å; S428-D431 VanDerWaalsContact O-CB 3.26Å; S428-D431 WeakPolarHBondContact O-CB 3.48Å; S428-D431 PolarHBondContact O-N 3.44Å; S428-D431 VanDerWaalsContact O-N 3.1Å; S428-D431 PolarHBondContact OG-N 2.81Å
429	E	82.5	Confident	87.2	Confident	131 Å²	131	72.6 Å²	72.6	61%	0.612	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.3	175.2	-64.1	-172.3	175.6	0	0	113.1	Y173 Y227	Y173-E429 HydrophobicContact CD2-CB 3.81Å; Y173-E429 VanDerWaalsContact CD2-OE2 3.28Å; Y173-E429 WeakPolarHBondContact CD2-OE2 3.15Å; Y173-E429 HydrophobicContact CE2-CB 4Å; Y173-E429 WeakPolarHBondContact CE2-OE2 3.3Å; Y227-E429 VanDerWaalsContact CE1-O 3.23Å; Y227-E429 WeakPolarHBondContact CE1-O 3.49Å
430	T	82.3	Confident	86.5	Confident	48 Å²	48	67.6 Å²	67.6	29%	0.294	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	8.1	177.4	53.3	0	0	0	0	113.7	L151 Y173 S428 T432	L151-T430 HydrophobicContact CD1-CG2 4.41Å; Y173-T430 HydrophobicContact CD1-CG2 3.66Å; Y173-T430 HydrophobicContact CD2-CG2 4.48Å; Y173-T430 HydrophobicContact CE1-CG2 3.11Å; Y173-T430 HydrophobicContact CE2-CG2 4.06Å; Y173-T430 HydrophobicContact CG-CG2 4.31Å; S428-T430 PolarHBondContact O-N 2.77Å; S428-T430 PolarHBondContact OG-OG1 2.81Å; T430-T432 PolarHBondContact O-N 2.81Å
431	D	84.6	Confident	85.7	Confident	15 Å²	15	70.4 Å²	70.4	8%	0.08	37%	0.365	C	S	.	.			trans	-64.6	120.7	-176.8	-164.4	-21.9	0	0	0	110.5	Y227 V426 T427 S428 R433	Y227-D431 PolarHBondContact OH-O 3.44Å; V426-D431 HydrophobicContact CG1-CB 4.05Å; T427-D431 PolarHBondContact N-OD2 3.1Å; T427-D431 PolarHBondContact OG1-OD2 3.36Å; S428-D431 VanDerWaalsContact O-CB 3.26Å; S428-D431 WeakPolarHBondContact O-CB 3.48Å; S428-D431 PolarHBondContact O-N 3.44Å; S428-D431 VanDerWaalsContact O-N 3.1Å; S428-D431 PolarHBondContact OG-N 2.81Å; D431-R433 VanDerWaalsContact CG-NE 3.31Å; D431-R433 VanDerWaalsContact OD1-CB 3.29Å; D431-R433 WeakPolarHBondContact OD1-CB 3.37Å; D431-R433 WeakPolarHBondContact OD1-CG 3.37Å; D431-R433 PolarHBondContact OD1-N 3.29Å; D431-R433 IonicContact OD1-NE 2.66Å; D431-R433 PolarHBondContact OD1-NE 2.56Å; D431-R433 VanDerWaalsContact OD1-NE 3.12Å; D431-R433 IonicContact OD2-CZ 3.69Å; D431-R433 IonicContact OD2-NE 3.9Å; D431-R433 PolarHBondContact OD2-NE 3.04Å; D431-R433 IonicContact OD2-NH2 3.09Å; D431-R433 PolarHBondContact OD2-NH2 3.31Å; D431-R433 VanDerWaalsContact OD2-NH2 3.11Å
432	T	85.7	Confident	84.8	Confident	11 Å²	11	70.9 Å²	70.9	7%	0.067	36%	0.361	C	S	.	.			trans	-112	17	-179.9	62.4	0	0	0	0	112.9	K152 L154 L164 T430 Y434 F435 T440	K152-T432 HydrophobicContact CB-CG2 4.44Å; K152-T432 HydrophobicContact CD-CG2 3.53Å; K152-T432 PolarHBondContact NZ-OG1 3.13Å; L154-T432 HydrophobicContact CD2-CG2 4Å; L164-T432 HydrophobicContact CD2-CG2 4.2Å; T430-T432 PolarHBondContact O-N 2.81Å; T432-Y434 PolarHBondContact O-N 3.49Å; T432-F435 HydrophobicContact CG2-CD2 4.46Å; T432-F435 PolarHBondContact O-N 3.06Å; T432-T440 HydrophobicContact CG2-CG2 4.39Å
433	R	86.8	Confident	83.7	Confident	116 Å²	116	74.1 Å²	74.1	44%	0.438	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-19	-174.8	70.8	-179.5	58	-160.4	-13	115.7	Q425 T427 D431	Q425-R433 VanDerWaalsContact O-CZ 3.22Å; Q425-R433 PolarHBondContact O-NE 3.49Å; Q425-R433 PolarHBondContact O-NH1 3.21Å; T427-R433 PolarHBondContact OG1-NH2 3.46Å; D431-R433 VanDerWaalsContact CG-NE 3.31Å; D431-R433 VanDerWaalsContact OD1-CB 3.29Å; D431-R433 WeakPolarHBondContact OD1-CB 3.37Å; D431-R433 WeakPolarHBondContact OD1-CG 3.37Å; D431-R433 PolarHBondContact OD1-N 3.29Å; D431-R433 IonicContact OD1-NE 2.66Å; D431-R433 PolarHBondContact OD1-NE 2.56Å; D431-R433 VanDerWaalsContact OD1-NE 3.12Å; D431-R433 IonicContact OD2-CZ 3.69Å; D431-R433 IonicContact OD2-NE 3.9Å; D431-R433 PolarHBondContact OD2-NE 3.04Å; D431-R433 IonicContact OD2-NH2 3.09Å; D431-R433 PolarHBondContact OD2-NH2 3.31Å; D431-R433 VanDerWaalsContact OD2-NH2 3.11Å
434	Y	86.3	Confident	82.3	Confident	20 Å²	20	70.2 Å²	70.2	8%	0.078	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	5	-179.8	-58	-58.7	0	0	0	112.8	N229 G231 F235 H236 P424 Q425 V426 T432	N229-Y434 WeakPolarHBondContact O-CD2 3.09Å; G231-Y434 VanDerWaalsContact CA-CB 3.48Å; F235-Y434 AromaticContact CD1-CD1 3.87Å; F235-Y434 HydrophobicContact CD1-CD1 3.87Å; F235-Y434 HydrophobicContact CD1-CE1 4.47Å; F235-Y434 AromaticContact CE1-CD1 3.36Å; F235-Y434 HydrophobicContact CE1-CD1 3.36Å; F235-Y434 AromaticContact CE1-CE1 3.75Å; F235-Y434 HydrophobicContact CE1-CE1 3.75Å; F235-Y434 AromaticContact CZ-CD1 3.89Å; F235-Y434 HydrophobicContact CZ-CD1 3.89Å; F235-Y434 HydrophobicContact CZ-CE1 4.41Å; H236-Y434 AromaticContact CE1-CE1 3.96Å; P424-Y434 HydrophobicContact CB-CE2 3.86Å; Q425-Y434 PolarHBondContact N-OH 3.3Å; V426-Y434 HydrophobicContact CG2-CD2 4.46Å; V426-Y434 HydrophobicContact CG2-CE2 4.04Å; T432-Y434 PolarHBondContact O-N 3.49Å
435	F	83.8	Confident	80.8	Confident	30 Å²	30	74 Å²	74	13%	0.132	39%	0.392	C	S	.	.	S	Bend	trans	-100.3	153.3	171.1	-68.5	-93.8	0	0	0	109.3	L154 Y227 V228 M278 T432 E437 T440	L154-F435 HydrophobicContact CB-CD1 3.91Å; L154-F435 HydrophobicContact CB-CE1 3.91Å; L154-F435 HydrophobicContact CD1-CE1 4.21Å; L154-F435 HydrophobicContact CD1-CZ 4.34Å; L154-F435 HydrophobicContact CD2-CD1 3.83Å; L154-F435 HydrophobicContact CD2-CD2 4.12Å; L154-F435 HydrophobicContact CD2-CE1 3.89Å; L154-F435 HydrophobicContact CD2-CE2 4.17Å; L154-F435 HydrophobicContact CD2-CG 3.95Å; L154-F435 HydrophobicContact CD2-CZ 4.05Å; L154-F435 HydrophobicContact CG-CD1 4.39Å; L154-F435 HydrophobicContact CG-CE1 4.22Å; Y227-F435 AromaticContact CE2-CE2 3.74Å; Y227-F435 HydrophobicContact CE2-CE2 3.74Å; Y227-F435 AromaticContact CE2-CZ 3.58Å; Y227-F435 HydrophobicContact CE2-CZ 3.58Å; Y227-F435 AromaticContact CZ-CE2 3.88Å; Y227-F435 VanDerWaalsContact OH-CE2 3.22Å; Y227-F435 WeakPolarHBondContact OH-CE2 2.96Å; V228-F435 WeakPolarHBondContact O-CZ 3.25Å; M278-F435 HydrophobicContact CE-CE1 4.01Å; M278-F435 HydrophobicContact CE-CZ 3.76Å; T432-F435 HydrophobicContact CG2-CD2 4.46Å; T432-F435 PolarHBondContact O-N 3.06Å; F435-E437 PolarHBondContact O-N 2.86Å; F435-T440 HydrophobicContact CB-CG2 3.65Å
436	D	82.2	Confident	79.2	Confident	86 Å²	86	69.9 Å²	69.9	46%	0.46	37%	0.374	S	S	.	.			trans	-58.1	129.3	178.8	-158	-38.2	0	0	0	111.4	E438 F439 T440	D436-E438 PolarHBondContact O-N 2.89Å; D436-E438 VanDerWaalsContact OD1-CB 3.28Å; D436-E438 WeakPolarHBondContact OD1-CB 3.3Å; D436-E438 PolarHBondContact OD1-N 3.3Å; D436-F439 HydrophobicContact CB-CD2 3.55Å; D436-F439 HydrophobicContact CB-CE2 3.86Å; D436-F439 HydrophobicContact CB-CG 4.48Å; D436-F439 PolarHBondContact O-N 3.04Å; D436-F439 VanDerWaalsContact O-N 3.15Å; D436-T440 PolarHBondContact O-N 2.83Å; D436-T440 PolarHBondContact O-OG1 3.31Å
437	E	82.3	Confident	77.4	Confident	158 Å²	158	72.2 Å²	72.2	74%	0.738	39%	0.389	S	S	*	.	H	α-helix	trans	-62.7	-29	174.8	-70.1	-172.2	176.2	0	0	111.2	F435 F439 T440 A441	F435-E437 PolarHBondContact O-N 2.86Å; E437-F439 PolarHBondContact O-N 3.13Å; E437-T440 WeakPolarHBondContact CA-OG1 3.18Å; E437-T440 PolarHBondContact O-N 3.34Å; E437-A441 WeakPolarHBondContact O-CB 3.31Å; E437-A441 PolarHBondContact O-N 2.87Å
438	E	80.8	Confident	75.4	Confident	127 Å²	127	72.1 Å²	72.1	59%	0.593	39%	0.39	S	S	*	.	H	α-helix	trans	-55.4	-39.5	174.1	-171.2	-173	152.8	0	0	111	D436 Q442	D436-E438 PolarHBondContact O-N 2.89Å; D436-E438 VanDerWaalsContact OD1-CB 3.28Å; D436-E438 WeakPolarHBondContact OD1-CB 3.3Å; D436-E438 PolarHBondContact OD1-N 3.3Å; E438-Q442 VanDerWaalsContact O-CG 3.26Å; E438-Q442 WeakPolarHBondContact O-CG 3.3Å; E438-Q442 PolarHBondContact O-NE2 3.41Å
439	F	79.2	Confident	73.2	Confident	47 Å²	47	73.2 Å²	73.2	21%	0.206	40%	0.396	C	S	.	.	H	α-helix	trans	-86.8	-46.5	178.9	-56.3	-53.2	0	0	0	111.9	L153 K156 D436 E437 A441 Q442	L153-F439 HydrophobicContact CD2-CB 4.38Å; L153-F439 HydrophobicContact CD2-CD1 4.5Å; L153-F439 HydrophobicContact CG-CB 4.29Å; L153-F439 CarbonylContact O-C 3.58Å; K156-F439 HydrophobicContact CB-CD1 4.47Å; K156-F439 HydrophobicContact CB-CE1 4.23Å; D436-F439 HydrophobicContact CB-CD2 3.55Å; D436-F439 HydrophobicContact CB-CE2 3.86Å; D436-F439 HydrophobicContact CB-CG 4.48Å; D436-F439 PolarHBondContact O-N 3.04Å; D436-F439 VanDerWaalsContact O-N 3.15Å; E437-F439 PolarHBondContact O-N 3.13Å; F439-A441 VanDerWaalsContact C-N 3.27Å; F439-A441 PolarHBondContact O-N 3.18Å; F439-Q442 WeakPolarHBondContact O-CB 3.44Å; F439-Q442 PolarHBondContact O-N 2.9Å
440	T	80.5	Confident	71.2	Confident	24 Å²	24	74.7 Å²	74.7	15%	0.147	40%	0.403	C	S	.	.	H	α-helix	trans	-71.9	-19.8	-171.5	59.6	0	0	0	0	113.9	L153 T432 F435 D436 E437	L153-T440 WeakPolarHBondContact O-CA 3.3Å; L153-T440 PolarHBondContact O-N 2.97Å; T432-T440 HydrophobicContact CG2-CG2 4.39Å; F435-T440 HydrophobicContact CB-CG2 3.65Å; D436-T440 PolarHBondContact O-N 2.83Å; D436-T440 PolarHBondContact O-OG1 3.31Å; E437-T440 WeakPolarHBondContact CA-OG1 3.18Å; E437-T440 PolarHBondContact O-N 3.34Å
441	A	77.5	Confident	69	Low	85 Å²	85	81.5 Å²	81.5	70%	0.702	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-12.7	172.3	0	0	0	0	0	113.6	E437 F439	E437-A441 WeakPolarHBondContact O-CB 3.31Å; E437-A441 PolarHBondContact O-N 2.87Å; F439-A441 VanDerWaalsContact C-N 3.27Å; F439-A441 PolarHBondContact O-N 3.18Å
442	Q	76.7	Confident	66.8	Low	79 Å²	79	89 Å²	89	37%	0.369	46%	0.457	S	S	.	.	S	Bend	trans	-74.2	139.1	179.2	-72.6	175.7	39.1	0	0	111.8	L153 E438 F439 I444	L153-Q442 HydrophobicContact CD2-CB 4.2Å; E438-Q442 VanDerWaalsContact O-CG 3.26Å; E438-Q442 WeakPolarHBondContact O-CG 3.3Å; E438-Q442 PolarHBondContact O-NE2 3.41Å; F439-Q442 WeakPolarHBondContact O-CB 3.44Å; F439-Q442 PolarHBondContact O-N 2.9Å; Q442-I444 PolarHBondContact O-N 3.45Å
443	T	69.2	Low	64.5	Low	115 Å²	115	95.1 Å²	95.1	71%	0.706	49%	0.489	S	S	*	.			trans	-66.3	132.3	167.4	52.8	0	0	0	0	110.3	T445	T443-T445 PolarHBondContact O-N 3.09Å
444	I	65.1	Low	62.2	Low	46 Å²	46	98.9 Å²	98.9	24%	0.236	51%	0.512	C	S	.	.			trans	-71.3	106	177.7	-62.4	164.4	0	0	0	109.6	L151 L153 I163 Q442 I446	L151-I444 WeakPolarHBondContact O-CD1 3.43Å; L153-I444 HydrophobicContact CB-CG1 4.43Å; I163-I444 HydrophobicContact CD1-CG2 3.85Å; I163-I444 HydrophobicContact CG2-CD1 3.69Å; I163-I444 HydrophobicContact CG2-CG1 4.36Å; Q442-I444 PolarHBondContact O-N 3.45Å; I444-I446 HydrophobicContact CG2-CG1 4.23Å
445	T	59.5	Low	59.9	Low	84 Å²	84	105.6 Å²	105.6	52%	0.515	55%	0.549	S	S	.	.			trans	-106.7	110.5	167	48.7	0	0	0	0	109.3	K161 T443	K161-T445 PolarHBondContact NZ-O 3.09Å; T443-T445 PolarHBondContact O-N 3.09Å
446	I	57.4	Low	57.5	Low	58 Å²	58	107.4 Å²	107.4	30%	0.297	58%	0.576	S	S	.	*			trans	-88.9	104.2	163.7	-55.7	176.5	0	0	0	105.2	M145 Y150 I163 I178 I444 P448	M145-I446 HydrophobicContact CE-CD1 3.96Å; Y150-I446 HydrophobicContact CD1-CD1 3.8Å; Y150-I446 HydrophobicContact CD2-CD1 4.38Å; Y150-I446 HydrophobicContact CE1-CD1 3.56Å; Y150-I446 HydrophobicContact CE2-CD1 4.2Å; Y150-I446 HydrophobicContact CG-CD1 4.22Å; I163-I446 HydrophobicContact CD1-CG1 4.49Å; I178-I446 HydrophobicContact CD1-CD1 4.47Å; I444-I446 HydrophobicContact CG2-CG1 4.23Å; I446-P448 WeakPolarHBondContact O-CD 3.18Å; I446-P448 VanDerWaalsContact O-N 3.14Å
447	T	49.9	Very low	55.1	Low	82 Å²	82	111.7 Å²	111.7	50%	0.503	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-52.2	121.2	175.8	-45.1	0	0	0	0	108.6	R220	R220-T447 PolarHBondContact NH2-O 2.91Å
448	P	44	Very low	53	Low	99 Å²	99	112 Å²	112	64%	0.643	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-54.8	151.4	175.3	-22.6	32.4	0	0	0	110.3	I446 E450	I446-P448 WeakPolarHBondContact O-CD 3.18Å; I446-P448 VanDerWaalsContact O-N 3.14Å; P448-E450 PolarHBondContact O-N 3.34Å
449	P	41.7	Very low	50.8	Low	76 Å²	76	111.1 Å²	111.1	49%	0.494	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-55.7	136.8	170.4	-9.5	19.9	0	0	0	108.6	K451	P449-K451 PolarHBondContact O-N 3.32Å; P449-K451 VanDerWaalsContact O-N 3.12Å
450	E	39.5	Very low	48.6	Very low	162 Å²	162	117.8 Å²	117.8	76%	0.757	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-54.2	123.2	170.7	-74	-178.3	171.1	0	0	107.9	P448 Y452	P448-E450 PolarHBondContact O-N 3.34Å; E450-Y452 PolarHBondContact O-N 3.44Å
451	K	36.3	Very low	46.6	Very low	191 Å²	191	121.4 Å²	121.4	83%	0.83	66%	0.662	S	S	*	*			trans	-63.1	108.8	169.1	-73	-176.2	176.8	-176.3	0	104.8	P449 D453	P449-K451 PolarHBondContact O-N 3.32Å; P449-K451 VanDerWaalsContact O-N 3.12Å; K451-D453 PolarHBondContact O-N 2.97Å
452	Y	39.4	Very low	44.4	Very low	172 Å²	172	125.9 Å²	125.9	68%	0.675	67%	0.674	S	S	*	*			trans	-61.8	110.6	159.3	-72.2	-90.1	0	0	0	104.5	E450 E454	E450-Y452 PolarHBondContact O-N 3.44Å; Y452-E454 PolarHBondContact O-N 2.89Å; Y452-E454 VanDerWaalsContact O-N 3.1Å
453	D	35.8	Very low	42.4	Very low	141 Å²	141	130.9 Å²	130.9	75%	0.754	70%	0.697	S	S	*	*			trans	-53.6	117.8	169.5	-70.7	-41.2	0	0	0	106.3	K451 D455	K451-D453 PolarHBondContact O-N 2.97Å; D453-D455 PolarHBondContact O-N 2.84Å
454	E	39	Very low	41.1	Very low	194 Å²	194	133.6 Å²	133.6	91%	0.907	69%	0.694	S	S	*	*	S	Bend	trans	-66.7	6.8	-179.2	-84.4	-179.4	157.8	0	0	112.9	Y452	Y452-E454 PolarHBondContact O-N 2.89Å; Y452-E454 VanDerWaalsContact O-N 3.1Å
455	D	37.7	Very low	40.1	Very low	161 Å²	161	141.5 Å²	141.5	86%	0.861	72%	0.721	S	S	*	*	S	Bend	trans	-111	78.3	179.6	-69.3	-40	0	0	0	110.9	D453	D453-D455 PolarHBondContact O-N 2.84Å
456	G	34.2	Very low	40	Very low	69 Å²	69	142.4 Å²	142.4	71%	0.711	73%	0.729	S	S	*	*	S	Bend	trans	151.7	110.8	160.3	0	0	0	0	0	115.2
457	M	32.1	Very low	40.2	Very low	175 Å²	175	144 Å²	144	86%	0.862	74%	0.735	S	S	*	*			trans	87.9	60.7	163.5	-131.5	96.3	-171.3	0	0	116.4	C459	M457-C459 PolarHBondContact O-N 2.82Å
458	D	37.7	Very low	41.2	Very low	165 Å²	165	140.5 Å²	140.5	88%	0.882	71%	0.712	S	S	*	*			trans	-57.4	111.7	138.6	-86.7	-35.3	0	0	0	107.7
459	C	34.2	Very low	42.2	Very low	108 Å²	108	140.3 Å²	140.3	73%	0.73	71%	0.711	S	S	*	*	S	Bend	trans	149.2	101.5	157.4	-77.4	0	0	0	0	108.7	M457	M457-C459 PolarHBondContact O-N 2.82Å
460	M	33.9	Very low	43.6	Very low	188 Å²	188	144 Å²	144	93%	0.926	72%	0.722	S	S	*	*	S	Bend	trans	128.1	15.8	157.8	-63.6	-148.2	158.4	0	0	119.3
461	D	37.1	Very low	45.1	Very low	100 Å²	100	136.2 Å²	136.2	54%	0.535	69%	0.686	S	S	.	*			trans	-113.5	12.3	177.4	-117.5	-4.6	0	0	0	116.1	E463 R464	D461-E463 PolarHBondContact O-N 3.27Å; D461-R464 IonicContact OD1-CZ 3.52Å; D461-R464 IonicContact OD1-NE 2.83Å; D461-R464 PolarHBondContact OD1-NE 3.05Å; D461-R464 IonicContact OD1-NH2 3.5Å; D461-R464 PolarHBondContact OD1-NH2 2.82Å; D461-R464 IonicContact OD2-CZ 3.39Å; D461-R464 IonicContact OD2-NE 3.32Å; D461-R464 PolarHBondContact OD2-NE 3.25Å; D461-R464 IonicContact OD2-NH2 3.35Å; D461-R464 PolarHBondContact OD2-NH2 2.62Å
462	N	33	Very low	46.9	Very low	179 Å²	179	130 Å²	130	96%	0.957	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-0.6	177.3	-90	-9.2	0	0	0	115.1
463	E	34.7	Very low	48.8	Very low	184 Å²	184	124.8 Å²	124.8	86%	0.86	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	4.8	175.6	-72.1	-163.6	159.8	0	0	114.7	D461 R465	D461-E463 PolarHBondContact O-N 3.27Å; E463-R465 VanDerWaalsContact C-N 3.31Å; E463-R465 PolarHBondContact O-N 3.06Å
464	R	41.3	Very low	50.6	Low	171 Å²	171	120.5 Å²	120.5	65%	0.645	63%	0.627	S	S	*	*			trans	-72.5	89.1	170.6	-70	-172	-169.2	-163.7	1	109.9	D461	D461-R464 IonicContact OD1-CZ 3.52Å; D461-R464 IonicContact OD1-NE 2.83Å; D461-R464 PolarHBondContact OD1-NE 3.05Å; D461-R464 IonicContact OD1-NH2 3.5Å; D461-R464 PolarHBondContact OD1-NH2 2.82Å; D461-R464 IonicContact OD2-CZ 3.39Å; D461-R464 IonicContact OD2-NE 3.32Å; D461-R464 PolarHBondContact OD2-NE 3.25Å; D461-R464 IonicContact OD2-NH2 3.35Å; D461-R464 PolarHBondContact OD2-NH2 2.62Å
465	R	44	Very low	52.3	Low	213 Å²	213	112.1 Å²	112.1	80%	0.804	59%	0.591	S	S	*	*			trans	-42.4	129.3	165.1	-71.4	-179.1	179	-178.7	-0.6	108.4	E463 H467	E463-R465 VanDerWaalsContact C-N 3.31Å; E463-R465 PolarHBondContact O-N 3.06Å; R465-H467 PolarHBondContact O-N 3.11Å
466	P	56.9	Low	53.2	Low	103 Å²	103	108.4 Å²	108.4	67%	0.669	58%	0.578	S	S	*	*			trans	-59.7	111.3	177.9	22.4	-30.7	0	0	0	108.2	F468 P469	P466-F468 PolarHBondContact O-N 3.46Å; P466-F468 VanDerWaalsContact O-N 3.12Å; P466-P469 WeakPolarHBondContact O-CD 3.3Å
467	H	62.3	Low	53.5	Low	92 Å²	92	108.4 Å²	108.4	43%	0.426	58%	0.577	S	S	.	*	S	Bend	trans	-64.8	-16	-175.8	-71.5	-79	0	0	0	113.5	V190 R465	V190-H467 HydrophobicContact CG1-CB 4.45Å; R465-H467 PolarHBondContact O-N 3.11Å
468	F	71.3	Confident	53.6	Low	7 Å²	7	111.7 Å²	111.7	3%	0.031	58%	0.58	C	S	.	*			trans	-136.6	54.9	-171.9	-54.4	-79	0	0	0	113.5	K181 I184 V190 L194 Q216 L221 P466 Q470 F471	K181-F468 HydrophobicContact CB-CE2 4.43Å; K181-F468 HydrophobicContact CD-CD2 4.29Å; K181-F468 HydrophobicContact CD-CE2 4.39Å; K181-F468 HydrophobicContact CG-CD2 4.33Å; K181-F468 HydrophobicContact CG-CE2 4.03Å; I184-F468 HydrophobicContact CG2-CZ 4.06Å; V190-F468 HydrophobicContact CB-CE1 4.44Å; V190-F468 HydrophobicContact CB-CZ 4.42Å; V190-F468 HydrophobicContact CG1-CD1 4.49Å; V190-F468 HydrophobicContact CG1-CE1 3.78Å; V190-F468 HydrophobicContact CG1-CZ 4.01Å; V190-F468 HydrophobicContact CG2-CZ 4.02Å; L194-F468 HydrophobicContact CD2-CD1 3.88Å; L194-F468 HydrophobicContact CG-CD1 4.24Å; Q216-F468 PolarHBondContact NE2-O 3.03Å; L221-F468 HydrophobicContact CD1-CD1 3.67Å; L221-F468 HydrophobicContact CD1-CD2 4.45Å; L221-F468 HydrophobicContact CD1-CE1 3.57Å; L221-F468 HydrophobicContact CD1-CE2 4.37Å; L221-F468 HydrophobicContact CD1-CG 4.13Å; L221-F468 HydrophobicContact CD1-CZ 3.94Å; L221-F468 HydrophobicContact CD2-CB 4.19Å; L221-F468 HydrophobicContact CD2-CD1 4.34Å; L221-F468 HydrophobicContact CD2-CD2 4.32Å; L221-F468 HydrophobicContact CD2-CG 4.03Å; P466-F468 PolarHBondContact O-N 3.46Å; P466-F468 VanDerWaalsContact O-N 3.12Å; F468-Q470 VanDerWaalsContact C-N 3.31Å; F468-Q470 PolarHBondContact O-N 2.87Å; F468-F471 HydrophobicContact CB-CB 4.35Å
469	P	64.9	Low	53.4	Low	95 Å²	95	113.9 Å²	113.9	62%	0.617	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-26.3	-170.8	27.7	-29.6	0	0	0	113.3	P466	P466-P469 WeakPolarHBondContact O-CD 3.3Å
470	Q	69.4	Low	54.3	Low	153 Å²	153	114.2 Å²	114.2	72%	0.715	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	20.5	-173.3	-63.4	-179.9	-7.2	0	0	114.4	K201 F468 S472	K201-Q470 PolarHBondContact NZ-O 3.44Å; F468-Q470 VanDerWaalsContact C-N 3.31Å; F468-Q470 PolarHBondContact O-N 2.87Å; Q470-S472 PolarHBondContact O-N 3.42Å
471	F	71	Confident	55.4	Low	0 Å²	0	110.3 Å²	110.3	0%	0	56%	0.559	C	S	.	*			trans	-76.9	-16.4	-171.3	-161.6	-93.6	0	0	0	114.7	T193 K201 S214 F215 Q216 L221 F223 F468	T193-F471 HydrophobicContact CG2-CE2 4.46Å; K201-F471 PolarHBondContact NZ-O 3.41Å; S214-F471 CarbonylContact C-O 3.47Å; S214-F471 WeakPolarHBondContact CB-O 3.3Å; S214-F471 PolarHBondContact OG-O 2.77Å; F215-F471 WeakPolarHBondContact O-CD1 3.4Å; F215-F471 VanDerWaalsContact O-CE1 3.22Å; F215-F471 WeakPolarHBondContact O-CE1 3.43Å; Q216-F471 HydrophobicContact CB-CD1 4.13Å; L221-F471 HydrophobicContact CB-CD1 4.46Å; L221-F471 HydrophobicContact CB-CE1 3.82Å; L221-F471 HydrophobicContact CB-CE2 4.05Å; L221-F471 HydrophobicContact CB-CZ 3.59Å; L221-F471 HydrophobicContact CD1-CD2 4.17Å; L221-F471 HydrophobicContact CD1-CE2 3.87Å; L221-F471 HydrophobicContact CD1-CZ 4.29Å; L221-F471 HydrophobicContact CD2-CB 4.43Å; L221-F471 HydrophobicContact CD2-CD1 3.86Å; L221-F471 HydrophobicContact CD2-CD2 3.98Å; L221-F471 HydrophobicContact CD2-CE1 4.09Å; L221-F471 HydrophobicContact CD2-CE2 4.19Å; L221-F471 HydrophobicContact CD2-CG 3.81Å; L221-F471 HydrophobicContact CD2-CZ 4.25Å; L221-F471 HydrophobicContact CG-CE1 4.46Å; L221-F471 HydrophobicContact CG-CE2 4.26Å; L221-F471 HydrophobicContact CG-CZ 4.25Å; F223-F471 AromaticContact CD1-CZ 3.88Å; F223-F471 HydrophobicContact CD1-CZ 3.88Å; F223-F471 HydrophobicContact CD2-CZ 4.1Å; F223-F471 HydrophobicContact CE1-CE1 4.34Å; F223-F471 AromaticContact CE1-CE2 3.61Å; F223-F471 HydrophobicContact CE1-CE2 3.61Å; F223-F471 AromaticContact CE1-CZ 3.33Å; F223-F471 HydrophobicContact CE1-CZ 3.33Å; F223-F471 HydrophobicContact CE2-CE2 4.02Å; F223-F471 AromaticContact CE2-CZ 3.62Å; F223-F471 HydrophobicContact CE2-CZ 3.62Å; F223-F471 HydrophobicContact CG-CZ 4.25Å; F223-F471 AromaticContact CZ-CE2 3.32Å; F223-F471 HydrophobicContact CZ-CE2 3.32Å; F223-F471 AromaticContact CZ-CZ 3.23Å; F223-F471 HydrophobicContact CZ-CZ 3.23Å; F468-F471 HydrophobicContact CB-CB 4.35Å
472	S	75.1	Confident	56.4	Low	61 Å²	61	110.9 Å²	110.9	43%	0.427	56%	0.561	S	S	.	*			trans	-74.5	137.6	-179.1	-56.9	0	0	0	0	112.5	K201 S214 Q470	K201-S472 PolarHBondContact NZ-O 3.46Å; K201-S472 VanDerWaalsContact NZ-O 3.15Å; S214-S472 CarbonylContact O-C 3.54Å; S214-S472 VanDerWaalsContact O-CA 3.31Å; S214-S472 WeakPolarHBondContact O-CA 3.4Å; Q470-S472 PolarHBondContact O-N 3.42Å
473	Y	78.1	Confident	57.8	Low	61 Å²	61	106.9 Å²	106.9	24%	0.239	54%	0.538	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	148	173.6	173.6	-103.4	0	0	0	112.1	K201 L211 Y213 S214 A475	K201-Y473 HydrophobicContact CB-CD2 4.34Å; K201-Y473 HydrophobicContact CB-CE2 4.28Å; K201-Y473 HydrophobicContact CD-CD1 4.5Å; K201-Y473 HydrophobicContact CD-CD2 3.89Å; K201-Y473 HydrophobicContact CD-CG 3.82Å; K201-Y473 HydrophobicContact CG-CD1 3.82Å; K201-Y473 HydrophobicContact CG-CD2 3.82Å; K201-Y473 HydrophobicContact CG-CE1 4.19Å; K201-Y473 HydrophobicContact CG-CE2 4.2Å; K201-Y473 HydrophobicContact CG-CG 3.62Å; L211-Y473 HydrophobicContact CD2-CD1 3.83Å; L211-Y473 HydrophobicContact CD2-CE1 4.23Å; L211-Y473 HydrophobicContact CG-CD1 4.26Å; L211-Y473 HydrophobicContact CG-CE1 4.45Å; Y213-Y473 WeakPolarHBondContact CA-O 3.42Å; S214-Y473 PolarHBondContact N-O 2.68Å; S214-Y473 PolarHBondContact O-N 3.23Å; S214-Y473 WeakPolarHBondContact OG-CB 3.29Å; Y473-A475 HydrophobicContact CE1-CB 3.97Å
474	S	75	Confident	59.3	Low	51 Å²	51	102.1 Å²	102.1	36%	0.357	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	118.9	171.3	177.6	0	0	0	0	109	S476	S474-S476 PolarHBondContact O-N 2.75Å
475	A	74	Confident	60.5	Low	19 Å²	19	97.5 Å²	97.5	16%	0.157	51%	0.509	C	S	.	.			trans	-66.2	117.3	173.8	0	0	0	0	0	109.5	K212 Y473 G477	K212-A475 HydrophobicContact CD-CB 4.42Å; K212-A475 PolarHBondContact O-N 2.96Å; Y473-A475 HydrophobicContact CE1-CB 3.97Å; A475-G477 PolarHBondContact O-N 3.27Å
476	S	56.2	Low	61.6	Low	83 Å²	83	89.2 Å²	89.2	58%	0.58	49%	0.488	S	S	*	.			trans	-63.7	130	174.1	48.6	0	0	0	0	109.8	S474 R478	S474-S476 PolarHBondContact O-N 2.75Å; S476-R478 PolarHBondContact O-N 2.62Å
477	G	41.7	Very low	62	Low	68 Å²	68	88.2 Å²	88.2	70%	0.701	47%	0.474	S	S	*	.			trans	-67.5	97.9	179.8	0	0	0	0	0	111.2	A475	A475-G477 PolarHBondContact O-N 3.27Å
478	R	33.3	Very low	62	Low	245 Å²	245	87.8 Å²	87.8	93%	0.925	48%	0.478	S	S	*	.			trans	-117.3	83.2	146	-74.4	-174.5	178.8	178.8	-0.3	105.1	S476	S476-R478 PolarHBondContact O-N 2.62Å
479	E	33.5	Very low	61.1	Low	211 Å²	211	95.2 Å²	95.2	99%	0.986	52%	0.518	S	S	*	.			trans	-72.3	0	158.4	-81.6	174.7	-164.6	0	0	108.5	K172	K172-E479 IonicContact NZ-OE1 2.63Å; K172-E479 PolarHBondContact NZ-OE1 3.47Å; K172-E479 IonicContact NZ-OE2 2.95Å; K172-E479 PolarHBondContact NZ-OE2 2.93Å

Retrieved 479 of 479 residues in 1595.3 ms (Link to these results)

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